 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer07_STD_B3LYPDBJ_def2SVPD.in
 Output=10_L-serine_conformer07_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-97125.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     97126.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer07_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:25:29 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer07_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.290730000000      0.712663000000      0.358259000000
  C                                                -0.059673000000      0.650207000000     -0.359706000000
  C                                                -0.852428000000     -0.631020000000     -0.023937000000
  O                                                -0.170827000000     -1.783936000000     -0.115771000000
  O                                                 2.106421000000     -0.370921000000     -0.116056000000
  N                                                -0.796184000000      1.869755000000     -0.086038000000
  O                                                -2.012397000000     -0.611288000000      0.285099000000
  H                                                 0.160738000000      0.608893000000     -1.431500000000
  H                                                 1.753555000000      1.672222000000      0.125488000000
  H                                                 1.147859000000      0.642089000000      1.441905000000
  H                                                 0.778104000000     -1.587327000000     -0.255792000000
  H                                                -1.294207000000      1.773751000000      0.793150000000
  H                                                -1.516728000000      1.999402000000     -0.785323000000
  H                                                 2.886618000000     -0.459251000000      0.440467000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:25:29 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530674   0.000000
     3  C    2.558258   1.543614   0.000000
     4  O    2.931529   2.448859   1.342471   0.000000
     5  O    1.436830   2.407079   2.971687   2.680013   0.000000
     6  N    2.427235   1.450738   2.502178   3.706941   3.666967
     7  O    3.559332   2.412524   1.200592   2.219725   4.145282
     8  H    2.119171   1.095002   2.131929   2.750765   2.544820
     9  H    1.090478   2.137223   3.481149   3.963140   2.087413
    10  H    1.095300   2.168871   2.787588   3.170313   2.090998
    11  H    2.435118   2.391491   1.904446   0.979148   1.806542
    12  H    2.827886   2.028670   2.577930   3.839955   4.121959
    13  H    3.293220   2.030883   2.817822   4.071044   4.381045
    14  H    1.981666   3.248354   3.771689   3.378189   0.962407
                    6          7          8          9         10
     6  N    0.000000
     7  O    2.787919   0.000000
     8  H    2.077436   3.026230   0.000000
     9  H    2.566112   4.407073   2.468187   0.000000
    10  H    2.760630   3.591152   3.038415   1.777919   0.000000
    11  H    3.802449   3.005347   2.566479   3.423673   2.826515
    12  H    1.014995   2.542110   2.902211   3.121688   2.768615
    13  H    1.012419   2.864820   2.272653   3.410480   3.728655
    14  H    4.389135   4.903835   3.474998   2.434383   2.288910
                   11         12         13         14
    11  H    0.000000
    12  H    4.085535   0.000000
    13  H    4.290837   1.609972   0.000000
    14  H    2.490615   4.752892   5.190086   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.49D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4231422           2.5009554           1.5382060
 Leave Link  202 at Thu Aug 12 20:25:29 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       326.5886488201 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0187086833 Hartrees.
 Nuclear repulsion after empirical dispersion term =      326.5699401368 Hartrees.
 Leave Link  301 at Thu Aug 12 20:25:30 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  7.00D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 20:25:30 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:25:30 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer07_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:25:30 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.714061874597    
 DIIS: error= 2.66D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.714061874597     IErMin= 1 ErrMin= 2.66D-03
 ErrMax= 2.66D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.51D-03 BMatP= 9.51D-03
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.66D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.257 Goal=   None    Shift=    0.000
 GapD=    0.257 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.38D-03 MaxDP=4.09D-01              OVMax= 2.07D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.32D-03    CP:  1.04D+00
 E= -398.722687664154     Delta-E=       -0.008625789557 Rises=F Damp=F
 DIIS: error= 8.40D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.722687664154     IErMin= 2 ErrMin= 8.40D-04
 ErrMax= 8.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.00D-04 BMatP= 9.51D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.40D-03
 Coeff-Com:  0.744D-01 0.926D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.737D-01 0.926D+00
 Gap=     0.253 Goal=   None    Shift=    0.000
 RMSDP=3.40D-04 MaxDP=7.30D-03 DE=-8.63D-03 OVMax= 7.18D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.97D-04    CP:  1.04D+00  1.03D+00
 E= -398.722487104931     Delta-E=        0.000200559223 Rises=F Damp=F
 DIIS: error= 9.29D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -398.722687664154     IErMin= 2 ErrMin= 8.40D-04
 ErrMax= 9.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.38D-04 BMatP= 6.00D-04
 IDIUse=3 WtCom= 2.47D-01 WtEn= 7.53D-01
 Coeff-Com: -0.178D-01 0.562D+00 0.456D+00
 Coeff-En:   0.000D+00 0.579D+00 0.421D+00
 Coeff:     -0.439D-02 0.574D+00 0.430D+00
 Gap=     0.252 Goal=   None    Shift=    0.000
 RMSDP=1.92D-04 MaxDP=1.46D-02 DE= 2.01D-04 OVMax= 4.34D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.42D-05    CP:  1.04D+00  1.04D+00  6.09D-01
 E= -398.723153627495     Delta-E=       -0.000666522564 Rises=F Damp=F
 DIIS: error= 1.46D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.723153627495     IErMin= 4 ErrMin= 1.46D-04
 ErrMax= 1.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-05 BMatP= 6.00D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.46D-03
 Coeff-Com: -0.120D-01 0.291D+00 0.237D+00 0.484D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.120D-01 0.290D+00 0.237D+00 0.485D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=4.87D-05 MaxDP=4.16D-03 DE=-6.67D-04 OVMax= 8.00D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.79D-05    CP:  1.04D+00  1.05D+00  5.91D-01  1.07D+00
 E= -398.723166630509     Delta-E=       -0.000013003014 Rises=F Damp=F
 DIIS: error= 4.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.723166630509     IErMin= 5 ErrMin= 4.49D-05
 ErrMax= 4.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-06 BMatP= 1.55D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.460D-02 0.956D-01 0.789D-01 0.247D+00 0.583D+00
 Coeff:     -0.460D-02 0.956D-01 0.789D-01 0.247D+00 0.583D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=8.69D-06 MaxDP=3.58D-04 DE=-1.30D-05 OVMax= 4.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.81D-06    CP:  1.04D+00  1.05D+00  5.92D-01  1.10D+00  9.34D-01
 E= -398.723167236530     Delta-E=       -0.000000606021 Rises=F Damp=F
 DIIS: error= 2.98D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.723167236530     IErMin= 6 ErrMin= 2.98D-05
 ErrMax= 2.98D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.40D-07 BMatP= 1.28D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.504D-03 0.134D-02 0.176D-02 0.612D-01 0.419D+00 0.517D+00
 Coeff:     -0.504D-03 0.134D-02 0.176D-02 0.612D-01 0.419D+00 0.517D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=3.82D-06 MaxDP=1.37D-04 DE=-6.06D-07 OVMax= 1.95D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.46D-06    CP:  1.04D+00  1.05D+00  5.96D-01  1.10D+00  9.45D-01
                    CP:  6.79D-01
 E= -398.723167653213     Delta-E=       -0.000000416683 Rises=F Damp=F
 DIIS: error= 3.14D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.723167653213     IErMin= 7 ErrMin= 3.14D-06
 ErrMax= 3.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.63D-09 BMatP= 5.40D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.362D-04-0.439D-02-0.343D-02 0.118D-01 0.146D+00 0.210D+00
 Coeff-Com:  0.640D+00
 Coeff:      0.362D-04-0.439D-02-0.343D-02 0.118D-01 0.146D+00 0.210D+00
 Coeff:      0.640D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.68D-06 MaxDP=1.59D-04 DE=-4.17D-07 OVMax= 2.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.48D-07    CP:  1.04D+00  1.05D+00  5.96D-01  1.11D+00  9.66D-01
                    CP:  6.80D-01  9.09D-01
 E= -398.723167658944     Delta-E=       -0.000000005730 Rises=F Damp=F
 DIIS: error= 1.48D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.723167658944     IErMin= 8 ErrMin= 1.48D-06
 ErrMax= 1.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.35D-09 BMatP= 7.63D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.454D-04-0.201D-02-0.165D-02 0.794D-03 0.374D-01 0.615D-01
 Coeff-Com:  0.339D+00 0.565D+00
 Coeff:      0.454D-04-0.201D-02-0.165D-02 0.794D-03 0.374D-01 0.615D-01
 Coeff:      0.339D+00 0.565D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=4.96D-07 MaxDP=4.68D-05 DE=-5.73D-09 OVMax= 9.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.54D-07    CP:  1.04D+00  1.05D+00  5.96D-01  1.11D+00  9.62D-01
                    CP:  6.80D-01  9.01D-01  7.44D-01
 E= -398.723167660083     Delta-E=       -0.000000001139 Rises=F Damp=F
 DIIS: error= 2.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.723167660083     IErMin= 9 ErrMin= 2.84D-07
 ErrMax= 2.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.44D-11 BMatP= 1.35D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.185D-04-0.526D-03-0.439D-03-0.715D-03 0.401D-02 0.891D-02
 Coeff-Com:  0.891D-01 0.237D+00 0.663D+00
 Coeff:      0.185D-04-0.526D-03-0.439D-03-0.715D-03 0.401D-02 0.891D-02
 Coeff:      0.891D-01 0.237D+00 0.663D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=1.23D-07 MaxDP=1.32D-05 DE=-1.14D-09 OVMax= 1.68D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.49D-08    CP:  1.04D+00  1.05D+00  5.96D-01  1.11D+00  9.63D-01
                    CP:  6.82D-01  9.18D-01  7.83D-01  8.47D-01
 E= -398.723167660134     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.723167660134     IErMin=10 ErrMin= 1.08D-07
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-11 BMatP= 6.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.527D-05-0.952D-04-0.796D-04-0.448D-03-0.986D-03-0.580D-03
 Coeff-Com:  0.176D-01 0.753D-01 0.348D+00 0.561D+00
 Coeff:      0.527D-05-0.952D-04-0.796D-04-0.448D-03-0.986D-03-0.580D-03
 Coeff:      0.176D-01 0.753D-01 0.348D+00 0.561D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=2.63D-08 MaxDP=1.88D-06 DE=-5.14D-11 OVMax= 5.55D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.89D-08    CP:  1.04D+00  1.05D+00  5.96D-01  1.11D+00  9.63D-01
                    CP:  6.82D-01  9.20D-01  7.93D-01  8.38D-01  8.32D-01
 E= -398.723167660126     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 2.87D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -398.723167660134     IErMin=11 ErrMin= 2.87D-08
 ErrMax= 2.87D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.24D-13 BMatP= 1.06D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.839D-06 0.122D-05 0.132D-05-0.180D-03-0.925D-03-0.126D-02
 Coeff-Com:  0.109D-02 0.174D-01 0.115D+00 0.277D+00 0.592D+00
 Coeff:      0.839D-06 0.122D-05 0.132D-05-0.180D-03-0.925D-03-0.126D-02
 Coeff:      0.109D-02 0.174D-01 0.115D+00 0.277D+00 0.592D+00
 Gap=     0.251 Goal=   None    Shift=    0.000
 RMSDP=8.89D-09 MaxDP=5.51D-07 DE= 8.07D-12 OVMax= 1.75D-07

 SCF Done:  E(RB3LYP) =  -398.723167660     A.U. after   11 cycles
            NFock= 11  Conv=0.89D-08     -V/T= 2.0093
 KE= 3.950350203697D+02 PE=-1.586367110659D+03 EE= 4.660389824929D+02
 Leave Link  502 at Thu Aug 12 20:25:49 2021, MaxMem=  5368709120 cpu:             147.1 elap:              18.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.26879840D+02

 Leave Link  801 at Thu Aug 12 20:25:49 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 3.30D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 3.40D-01 9.07D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 3.68D-02 4.10D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 1.39D-03 6.75D-03.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 4.61D-05 1.53D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 7.70D-07 1.36D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 1.44D-08 1.61D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 8.49D-11 1.51D-06.
      7 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 3.22D-13 9.75D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension    95 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.691941D+02
      2 -0.218763D+01  0.625422D+02
      3 -0.995624D+00  0.605376D+00  0.485528D+02
 Isotropic polarizability for W=    0.088559       60.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.248744D+01 -0.200082D+02  0.951630D+01
      2   0.577384D+00  0.320523D+02 -0.848392D+01
      3  -0.306483D+01 -0.120441D+02 -0.103239D+01
      4   0.149099D+02  0.230981D+01  0.763832D+01
      5   0.129685D+02  0.387775D+01  0.697154D+01
      6   0.714239D+01 -0.163365D+01  0.295114D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.375265D+01 -0.178641D+01 -0.165773D+02
      2   0.523757D+01  0.138989D+01  0.343609D+01
      3   0.991934D+01 -0.513647D+00  0.168483D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.376056D+01  0.685026D+01 -0.415555D+02
      2  -0.345224D+01  0.495922D+00  0.100364D+02
      3   0.349181D+02 -0.173242D+01  0.326464D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.597217D+00 -0.438037D+00  0.834823D+00
      2  -0.438037D+00 -0.909932D+00  0.307384D+00
      3   0.834823D+00  0.307384D+00 -0.365220D+00
 OR G Eigenvalues:    -1.3762    -0.4082     1.1064  Iso=     0.2260
 Eigenvectors:
   (1)   0.396009   0.734952  -0.550474
   (2)  -0.281317   0.667763   0.689169
   (3)   0.874092  -0.118059   0.471195
 w=    0.088559 a.u., Optical Rotation Beta=      0.2260 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      109.04 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 1.93D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.41D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 3.94D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 3.10D-02 5.01D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 4.95D-04 3.00D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 5.78D-06 2.81D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 4.38D-08 2.39D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 7.97D-11 1.02D-06.
     23 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 9.16D-14 3.54D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   203 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 7.87D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 7.87D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.47D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.691941D+02 -0.218763D+01 -0.995624D+00
      2  -0.218763D+01  0.625422D+02  0.605376D+00
      3  -0.995624D+00  0.605376D+00  0.485528D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.375265D+01 -0.178641D+01 -0.165773D+02
      2   0.523757D+01  0.138989D+01  0.343609D+01
      3   0.991934D+01 -0.513647D+00  0.168483D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.248744D+01 -0.200082D+02  0.951630D+01
      2   0.577384D+00  0.320523D+02 -0.848392D+01
      3  -0.306483D+01 -0.120441D+02 -0.103239D+01
      4   0.149099D+02  0.230981D+01  0.763832D+01
      5   0.129685D+02  0.387775D+01  0.697154D+01
      6   0.714239D+01 -0.163365D+01  0.295114D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.264848D+01  0.990246D+00  0.159515D+01  0.768756D+00 -0.484600D+01
      2   0.990246D+00 -0.286544D+01  0.307408D+00 -0.484600D+01 -0.363096D+01
      3   0.159515D+01  0.307408D+00  0.150400D+01 -0.611989D-02  0.109164D+01
                 6             7             8             9            10 
      1  -0.611989D-02  0.260284D+01  0.106030D-01  0.934664D+00 -0.453380D+01
      2   0.109164D+01  0.106030D-01  0.199252D+01 -0.335850D+00  0.230508D+00
      3   0.542187D-01  0.934664D+00 -0.335850D+00 -0.705220D+01 -0.873812D+00
                11            12            13            14            15 
      1   0.230508D+00 -0.873812D+00 -0.150101D+01  0.319346D+01  0.272694D+00
      2   0.283304D+01  0.829537D-01  0.319346D+01  0.418848D+01 -0.410859D-01
      3   0.829537D-01 -0.191261D+01  0.272694D+00 -0.410859D-01  0.571433D+00
                16            17            18            19            20 
      1  -0.124757D+01  0.831007D-01 -0.190787D+01  0.818312D+01  0.412738D+00
      2   0.831007D-01 -0.879519D+00 -0.208987D-01  0.412738D+00 -0.140978D+01
      3  -0.190787D+01 -0.208987D-01  0.683881D+01 -0.146376D+01 -0.502625D+00
                21            22            23            24            25 
      1  -0.146376D+01  0.227147D+00 -0.324745D+01 -0.338309D+00 -0.215092D+01
      2  -0.502625D+00 -0.324745D+01 -0.191228D+01  0.373778D+00 -0.447119D+00
      3   0.100559D+01 -0.338309D+00  0.373778D+00 -0.456774D+00  0.836558D+00
                26            27            28            29            30 
      1  -0.447119D+00  0.836558D+00 -0.500615D+01 -0.291114D+01  0.339975D+00
      2   0.211738D+00 -0.417616D+00 -0.291114D+01 -0.451487D+00 -0.121058D+00
      3  -0.417616D+00 -0.124875D+01  0.339975D+00 -0.121058D+00  0.795068D-01
                31            32            33            34            35 
      1  -0.131091D+01  0.193118D+01 -0.909167D-01  0.967905D+00  0.240094D-01
      2   0.193118D+01 -0.844596D+01 -0.599422D+00  0.240094D-01  0.239340D+00
      3  -0.909167D-01 -0.599422D+00 -0.113538D+01  0.516723D+00 -0.191738D+01
                36            37            38            39            40 
      1   0.516723D+00 -0.272027D+01 -0.101319D+01 -0.288814D+01 -0.178343D+01
      2  -0.191738D+01 -0.101319D+01 -0.489431D-01  0.420798D+00  0.197654D+01
      3  -0.270644D+00 -0.288814D+01  0.420798D+00 -0.951252D+00  0.352284D+00
                41            42            43            44            45 
      1   0.197654D+01  0.352284D+00 -0.554126D+01  0.132727D+01 -0.391578D+00
      2  -0.222997D+01 -0.910982D+00  0.132727D+01 -0.161178D+01 -0.588327D+00
      3  -0.910982D+00 -0.153324D-01 -0.391578D+00 -0.588327D+00 -0.162354D+01
                46            47            48            49            50 
      1   0.359222D+01 -0.763041D+00  0.101047D+01  0.856222D-01 -0.170222D+01
      2  -0.763041D+00  0.228866D+00 -0.247990D+00 -0.170222D+01  0.466823D+01
      3   0.101047D+01 -0.247990D+00  0.382021D+01 -0.638367D+00  0.886017D-01
                51            52            53            54            55 
      1  -0.638367D+00  0.157951D+01 -0.633573D+00  0.369912D+01 -0.147805D+02
      2   0.886017D-01 -0.633573D+00 -0.171349D+00  0.349850D+00 -0.930294D+00
      3   0.428004D+00  0.369912D+01  0.349850D+00 -0.182100D+01  0.178785D+01
                56            57            58            59            60 
      1  -0.930294D+00  0.178785D+01 -0.113987D+01 -0.221425D+01  0.275063D+00
      2  -0.335555D+01  0.229424D+00 -0.221425D+01 -0.129196D+00  0.471170D+00
      3   0.229424D+00 -0.251552D+01  0.275063D+00  0.471170D+00  0.123168D+00
                61            62            63            64            65 
      1   0.256797D+01  0.442213D+00 -0.353691D+01  0.174254D+01  0.324047D+00
      2   0.442213D+00  0.102003D+01 -0.222759D+00  0.324047D+00 -0.296633D+00
      3  -0.353691D+01 -0.222759D+00  0.217960D+01 -0.107180D+01 -0.493054D-01
                66            67            68            69            70 
      1  -0.107180D+01  0.143210D+00 -0.365899D+00 -0.573530D-01 -0.175175D+01
      2  -0.493054D-01 -0.365899D+00  0.350870D-01 -0.117917D+01 -0.902363D-02
      3   0.147673D+01 -0.573530D-01 -0.117917D+01 -0.489651D-01  0.117182D+01
                71            72            73            74            75 
      1  -0.902363D-02  0.117182D+01  0.231166D+01  0.205950D+01 -0.531104D+00
      2  -0.161434D+01  0.505669D+00  0.205950D+01  0.256907D+01 -0.157704D+00
      3   0.505669D+00 -0.851632D+01 -0.531104D+00 -0.157704D+00  0.409063D+00
                76            77            78            79            80 
      1   0.311178D+01  0.322555D+01 -0.140981D-01 -0.117034D+01 -0.379866D+00
      2   0.322555D+01  0.735030D+01 -0.480539D+00 -0.379866D+00 -0.135344D+01
      3  -0.140981D-01 -0.480539D+00  0.923069D+00  0.587866D+00  0.118733D+01
                81            82            83            84            85 
      1   0.587866D+00 -0.643628D+00  0.140905D+00  0.950434D+00 -0.234462D+00
      2   0.118733D+01  0.140905D+00  0.212824D+00 -0.222801D+00  0.442979D+00
      3   0.225885D+00  0.950434D+00 -0.222801D+00 -0.113088D+01 -0.552137D-01
                86            87            88            89            90 
      1   0.442979D+00 -0.552137D-01  0.167780D+01 -0.233243D+00  0.401033D+00
      2   0.379746D+00  0.103374D+01 -0.233243D+00  0.117576D+01  0.689327D+00
      3   0.103374D+01 -0.204130D+00  0.401033D+00  0.689327D+00  0.863873D+01
                91            92            93            94            95 
      1   0.710247D+01  0.689754D+00 -0.201809D+00  0.993637D+00  0.122278D+01
      2   0.689754D+00  0.293596D+01  0.253554D+00  0.122278D+01 -0.906567D+00
      3  -0.201809D+00  0.253554D+00  0.661403D+00  0.150835D+00 -0.105204D+00
                96            97            98            99           100 
      1   0.150835D+00 -0.826734D+00  0.177709D+00  0.458838D+00 -0.206217D+01
      2  -0.105204D+00  0.177709D+00 -0.357517D+00 -0.614811D+00  0.802381D+00
      3  -0.519797D+00  0.458838D+00 -0.614811D+00 -0.441767D+00  0.148928D+01
               101           102           103           104           105 
      1   0.802381D+00  0.148928D+01  0.438933D+00 -0.115361D+00 -0.150079D+00
      2  -0.789313D+00 -0.467325D+00 -0.115361D+00  0.398489D+00  0.322344D+00
      3  -0.467325D+00 -0.205749D+01 -0.150079D+00  0.322344D+00 -0.151426D+00
               106           107           108           109           110 
      1   0.245925D+01 -0.607710D+00 -0.234901D+01 -0.458216D+01  0.190346D+01
      2  -0.607710D+00  0.167968D+01  0.842773D+00  0.190346D+01 -0.113665D+01
      3  -0.234901D+01  0.842773D+00  0.461821D+01 -0.223197D+01  0.863981D+00
               111           112           113           114           115 
      1  -0.223197D+01  0.167743D+01 -0.676743D+00  0.685832D+00 -0.351515D+01
      2   0.863981D+00 -0.676743D+00  0.134091D+01 -0.461299D+00  0.117992D+01
      3  -0.215732D+01  0.685832D+00 -0.461299D+00  0.745898D+00 -0.263186D+01
               116           117           118           119           120 
      1   0.117992D+01 -0.263186D+01  0.874814D+01 -0.193587D+01  0.208925D+01
      2  -0.134706D+01  0.106894D+01 -0.193587D+01  0.157403D+01 -0.389309D+00
      3   0.106894D+01 -0.289216D+01  0.208925D+01 -0.389309D+00  0.176857D+01
               121           122           123           124           125 
      1  -0.147683D+01  0.117544D+01 -0.386251D+00  0.434845D+01 -0.934291D+00
      2   0.117544D+01 -0.110628D+01  0.396429D+00 -0.934291D+00  0.101593D+01
      3  -0.386251D+00  0.396429D+00 -0.313983D+00  0.221060D+01 -0.526256D+00
               126 
      1   0.221060D+01
      2  -0.526256D+00
      3   0.136516D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.243183D+01 -0.315799D+01 -0.309319D+01 -0.385975D+01 -0.293667D+01
      2   0.470281D+01  0.450372D+00  0.266955D+01 -0.946334D+00  0.353307D+01
      3   0.311769D+01  0.578089D+01  0.106584D+01  0.810659D+01 -0.376057D+01
                 6             7             8             9            10 
      1  -0.171222D+00 -0.172063D+01  0.299391D+01  0.780952D+01  0.245763D+01
      2   0.125129D+01 -0.236207D+01 -0.770919D+00 -0.756724D+01 -0.155527D+01
      3  -0.730572D+00  0.270011D+01 -0.253464D+01  0.180906D+01 -0.120314D+01
                11            12            13            14            15 
      1  -0.148539D+01 -0.654766D-01 -0.213820D+01 -0.252640D+01 -0.275935D+01
      2  -0.262414D+00  0.150052D+01  0.380829D-02  0.501988D+00  0.166429D+01
      3  -0.462871D+01 -0.856540D+00  0.901734D+00  0.202586D+01  0.915419D+00
                16            17            18            19            20 
      1   0.159157D+01  0.466700D+01 -0.284369D+01 -0.206891D+01  0.793526D+01
      2  -0.463481D+01 -0.597316D+00  0.376876D-01 -0.260654D+01 -0.168414D+01
      3  -0.162480D+01  0.745236D+00 -0.146831D+01 -0.543156D+01  0.260477D+01
                21            22            23            24            25 
      1   0.170715D+00  0.320402D+01  0.472634D+01  0.578535D+01  0.308863D+01
      2  -0.954589D+01 -0.173248D+01 -0.760185D+00  0.311747D+00 -0.120622D+02
      3   0.133545D+01  0.279877D+01  0.805599D+00 -0.198698D+01  0.232771D+01
                26            27            28            29            30 
      1   0.168856D+02 -0.132832D+01  0.135631D+01 -0.178265D+01 -0.214590D+00
      2  -0.402169D+01  0.508986D+01 -0.208984D+01 -0.217360D+00  0.359602D+01
      3  -0.573176D+01 -0.662167D+00  0.165331D+02  0.252424D+01 -0.826546D+00
                31            32            33            34            35 
      1   0.274016D+00  0.107635D+01 -0.780141D+01 -0.765621D+00 -0.392089D+01
      2  -0.511539D+00  0.900443D-01 -0.187796D+01 -0.208390D+01  0.256707D+01
      3   0.121685D+02 -0.166760D+01 -0.102883D+00 -0.306361D+01  0.913185D+00
                36            37            38            39            40 
      1   0.293079D+00 -0.283003D+01  0.633739D+00  0.107998D+01  0.152323D+01
      2  -0.407249D+00 -0.898352D+01  0.282126D+01  0.117267D+01  0.250660D+01
      3  -0.148680D+01  0.610981D+01 -0.779732D+01  0.881918D-01  0.395760D+00
                41            42            43            44            45 
      1  -0.116867D+01 -0.430849D+01 -0.142624D+01  0.332083D+01 -0.217952D+01
      2  -0.279665D+01 -0.119416D+01 -0.619843D+01  0.344860D-01 -0.588651D+01
      3   0.774920D+01  0.194753D+01 -0.153978D+00  0.525774D+01  0.165172D+01
                46            47            48            49            50 
      1  -0.249468D+01  0.132880D+01 -0.861902D+01  0.258649D+01 -0.172270D+01
      2  -0.146412D+01  0.157493D+01 -0.388653D+00  0.838171D+00 -0.104233D+01
      3   0.960348D+01 -0.519923D+01  0.154967D+01  0.508158D+01 -0.510123D-01
                51            52            53            54            55 
      1  -0.581613D+01 -0.103573D+02  0.276138D+01  0.321302D+01  0.264340D+01
      2  -0.866237D+00 -0.693231D+01  0.285562D+01  0.974897D+00 -0.977621D+00
      3  -0.149021D+01  0.255147D+01 -0.236274D+01  0.985623D+01  0.968613D+01
                56            57            58            59            60 
      1  -0.346502D+01 -0.210329D+01 -0.730740D+00 -0.180509D+00 -0.391324D+01
      2  -0.168927D+00  0.128407D+02  0.100421D+01 -0.494999D+00  0.156406D+01
      3  -0.139142D+02 -0.111444D+01  0.666574D+00  0.106714D+01  0.845082D+00
                61            62            63            64            65 
      1  -0.410208D+01 -0.498539D+00  0.216553D+01  0.544915D+00  0.338448D-02
      2   0.165901D+01  0.180036D+01 -0.429474D+01  0.133045D+01  0.330175D+00
      3  -0.100718D+01  0.437735D+01  0.293906D+01  0.134870D+01 -0.536814D+00
                66            67            68            69            70 
      1  -0.760060D+00  0.486275D+00  0.732456D+00 -0.877083D-01 -0.126107D+01
      2   0.659687D+00 -0.328951D+00 -0.186265D+00 -0.116472D+00 -0.266595D+01
      3  -0.605435D+00  0.142447D+01 -0.395950D+00 -0.275932D+00 -0.923432D+00
                71            72            73            74            75 
      1   0.224480D+01  0.511706D+01  0.156662D+01  0.132041D+01 -0.111012D+01
      2   0.448990D+00 -0.997192D-01 -0.104291D+01 -0.101653D+01  0.176568D+01
      3   0.618300D+00  0.389513D+00  0.224214D+00 -0.265550D+01 -0.416273D+00
                76            77            78            79            80 
      1   0.100216D+01  0.311348D+01 -0.350438D+01 -0.510641D+00 -0.112917D+01
      2  -0.575975D+00 -0.141539D+01  0.211033D+01  0.546683D-01  0.146408D+01
      3   0.304564D+01 -0.737184D+01  0.806984D+00 -0.173166D+01  0.161333D+01
                81            82            83            84            85 
      1   0.272269D+00 -0.840654D+00 -0.676418D-01  0.812442D+00  0.249349D+00
      2  -0.219972D+00  0.210379D+01 -0.511168D+00 -0.948253D+00  0.199361D+00
      3  -0.830787D+00 -0.140652D+01 -0.796656D+00  0.928390D+00  0.304782D+00
                86            87            88            89            90 
      1  -0.784981D+00  0.300731D+00 -0.373648D+00  0.305148D+01 -0.816081D+01
      2   0.111316D+01 -0.202642D+00 -0.397893D+01  0.141406D+01  0.109951D+02
      3   0.365928D+00 -0.117209D+01  0.180047D+01 -0.164470D+01 -0.100723D+01
                91            92            93            94            95 
      1  -0.123576D+01 -0.204754D+00  0.235819D+01  0.160148D-01 -0.605297D-01
      2   0.317584D+01  0.956535D+00 -0.972835D+00  0.851553D+00  0.255326D+00
      3  -0.228182D+02 -0.295997D+01  0.382495D+00 -0.368591D+01 -0.731953D+00
                96            97            98            99           100 
      1   0.191220D+00  0.166297D+01  0.783940D+00 -0.442284D+00 -0.349996D+01
      2  -0.110110D+01 -0.240900D+01 -0.367185D+00 -0.328018D+00 -0.810805D+00
      3  -0.278234D+00  0.182501D+01 -0.383858D+00 -0.558108D+00 -0.409605D+01
               101           102           103           104           105 
      1   0.233844D+00  0.521747D+01  0.175403D+00 -0.146174D+01  0.311464D-01
      2   0.822753D+00  0.299793D+01  0.687997D+00  0.229576D+00  0.545176D-01
      3  -0.719850D+00  0.317312D+01  0.477895D+00 -0.778513D+00  0.251826D-01
               106           107           108           109           110 
      1   0.610692D+01  0.271924D+00 -0.102818D+02  0.471185D+01 -0.116562D+01
      2   0.721181D+00 -0.123462D+01 -0.464319D+01  0.937038D+00 -0.104136D+01
      3   0.551507D+01  0.791118D+00 -0.522076D+01 -0.909017D+01  0.101557D+01
               111           112           113           114           115 
      1   0.512639D+01 -0.182377D+01  0.736797D+00 -0.153198D+01  0.561336D+01
      2   0.300714D+01 -0.628076D+00  0.685769D-01 -0.697400D+00  0.928992D+00
      3  -0.441113D+01  0.341916D+01 -0.551765D+00  0.150107D+01 -0.726511D+01
               116           117           118           119           120 
      1  -0.536042D+00  0.583889D+01  0.212112D+01 -0.126378D+00  0.120056D+01
      2  -0.989394D+00  0.268274D+01  0.678344D+01 -0.175139D+01  0.592215D+01
      3   0.855050D+00 -0.532194D+01 -0.148399D+01 -0.398753D+01 -0.595105D+00
               121           122           123           124           125 
      1  -0.467226D+00  0.154033D+00 -0.690958D+00  0.136027D+01  0.374062D+00
      2  -0.136834D+01  0.904074D+00 -0.900265D+00  0.536573D+01 -0.151086D+01
      3  -0.507441D+00  0.220278D+01 -0.501672D+00 -0.950062D+00 -0.251361D+01
               126 
      1   0.829370D+00
      2   0.416366D+01
      3  -0.894842D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.183945D+01  0.118333D+01  0.937751D+00  0.119751D+02 -0.510880D+01
      2  -0.250001D+01 -0.288722D+01 -0.343373D+01 -0.150852D+02 -0.105346D+02
      3   0.433946D+01  0.170390D+01  0.249598D+01  0.311017D+01  0.156434D+02
      4   0.380417D+01 -0.110960D+02  0.447185D+01 -0.172588D+02 -0.191549D+02
      5   0.800926D+01  0.911928D+00  0.131613D+01 -0.305449D+01  0.279822D+01
      6   0.386022D+01  0.137277D+01  0.521486D+01  0.257594D+00 -0.222697D-01
                 6             7             8             9            10 
      1  -0.824651D+00  0.592583D+01  0.400449D+00  0.123378D+02 -0.409612D+01
      2   0.399955D+01 -0.280140D+01  0.199156D+01  0.643662D+01  0.616853D+01
      3  -0.317490D+01 -0.312443D+01 -0.239201D+01 -0.187744D+02 -0.207241D+01
      4   0.319389D+01  0.202802D+01  0.522627D+01 -0.350770D-01  0.334714D+00
      5   0.357137D+01  0.262716D+01  0.247476D+00 -0.130308D+02 -0.288453D+01
      6  -0.147475D+01  0.244239D+01  0.888643D+00 -0.896140D+01 -0.305801D+01
                11            12            13            14            15 
      1  -0.373483D+01 -0.336185D+01  0.678790D+00  0.201085D+01  0.677559D+00
      2   0.805834D+01  0.660520D+00  0.270282D+01 -0.180358D+01  0.532933D+00
      3  -0.432351D+01  0.270133D+01 -0.338161D+01 -0.207266D+00 -0.121049D+01
      4   0.138717D+00 -0.281271D+01 -0.904239D+00  0.403333D+01 -0.216142D+00
      5  -0.935634D+00 -0.163896D+01  0.487453D+00  0.734705D+00  0.270228D+01
      6  -0.453308D+00 -0.859794D+00  0.421997D+00  0.147194D+01 -0.359457D+00
                16            17            18            19            20 
      1  -0.541990D+01 -0.404199D+00  0.908258D+01 -0.334572D+02 -0.971371D+01
      2  -0.582546D+00 -0.286656D+01  0.802868D+01  0.187714D+02  0.894329D+01
      3   0.600245D+01  0.327076D+01 -0.171113D+02  0.146857D+02  0.770419D+00
      4  -0.304383D+01 -0.133676D+01 -0.363599D+01 -0.118306D+02 -0.149803D+02
      5  -0.141721D+00 -0.168807D+01  0.533181D+01  0.631709D+01  0.580060D+00
      6  -0.427738D+01  0.402223D+00  0.814494D+01  0.291023D+01  0.251447D+01
                21            22            23            24            25 
      1   0.444150D+00 -0.204985D+01  0.105399D+02  0.648879D+00  0.891625D+01
      2  -0.481115D+01  0.344038D+01 -0.149137D+02 -0.175034D+01 -0.600962D+01
      3   0.436700D+01 -0.139053D+01  0.437389D+01  0.110146D+01 -0.290663D+01
      4   0.271050D+01 -0.184146D+01  0.859619D+01 -0.145963D+01  0.496018D+01
      5  -0.142265D+02 -0.800716D+00 -0.183053D+01  0.211494D+01  0.152164D+01
      6   0.190512D+01 -0.160889D+01 -0.393825D+01 -0.708248D+01 -0.164385D+01
                26            27            28            29            30 
      1  -0.280963D+00 -0.746967D+01 -0.227134D+01 -0.120595D+01 -0.100939D+01
      2  -0.122918D+01 -0.329852D+01  0.720942D+01  0.110562D+00  0.108256D+01
      3   0.151014D+01  0.107682D+02 -0.493808D+01  0.109539D+01 -0.731627D-01
      4   0.556539D+01 -0.864130D+00  0.582411D+01  0.162574D+02 -0.845066D+00
      5  -0.123590D+01  0.718698D+01 -0.660136D+00  0.775535D-02  0.640983D+01
      6   0.176585D+01  0.157908D+01 -0.188738D+01 -0.417643D+00 -0.136367D+01
                31            32            33            34            35 
      1  -0.218824D+00 -0.280207D+02 -0.209147D+01  0.814481D-01  0.179489D+00
      2  -0.282125D+01  0.404471D+02  0.166224D+01  0.847923D+00  0.325658D+00
      3   0.304007D+01 -0.124264D+02  0.429224D+00 -0.929371D+00 -0.505146D+00
      4   0.108204D+02 -0.127802D+01  0.127959D+01 -0.166602D+01 -0.805451D+00
      5   0.663410D+00  0.168482D+01 -0.205115D+01  0.352839D+01  0.147507D+01
      6   0.101960D+01  0.478715D+01  0.144451D+02 -0.213507D+01  0.131838D+02
                36            37            38            39            40 
      1  -0.872041D+01 -0.593500D+01  0.594981D+00 -0.136020D+02 -0.766977D+01
      2   0.509314D+01  0.258995D+01 -0.245077D+01  0.927074D+01  0.553914D+01
      3   0.362728D+01  0.334505D+01  0.185579D+01  0.433131D+01  0.213063D+01
      4   0.545723D+00  0.761040D+00  0.632844D+01  0.293596D+01  0.947614D+01
      5   0.222213D+00 -0.184903D+02  0.339010D+01  0.279267D+01  0.373143D+01
      6   0.150962D+01  0.258456D+01 -0.123156D+01 -0.120703D+01 -0.121735D+01
                41            42            43            44            45 
      1  -0.907703D-01  0.115652D+01 -0.267372D+02  0.489006D+01 -0.567108D+01
      2   0.725174D+01 -0.166841D+01  0.162489D+02 -0.128498D+01 -0.165659D+01
      3  -0.716097D+01  0.511889D+00  0.104884D+02 -0.360509D+01  0.732766D+01
      4  -0.685322D+01 -0.386574D+01  0.681611D+01 -0.567762D+01 -0.102905D+01
      5  -0.472091D+01 -0.282960D+01  0.125603D+01 -0.270260D+01 -0.113817D+02
      6   0.821109D+00  0.582914D+01  0.102130D+01  0.370191D+01  0.274566D+01
                46            47            48            49            50 
      1  -0.251880D+01  0.473003D+01 -0.954532D+00  0.141740D+01 -0.136530D+02
      2   0.328465D+01 -0.671322D+01 -0.158666D+01 -0.509867D+01  0.272398D+02
      3  -0.765848D+00  0.198319D+01  0.254120D+01  0.368127D+01 -0.135869D+02
      4   0.145401D+02  0.922406D+00  0.354230D+01  0.898367D+01 -0.148052D+02
      5  -0.415781D+01  0.234616D+01 -0.764096D+01  0.115451D+01 -0.972855D+00
      6   0.471309D+01 -0.200940D+01  0.144893D+02 -0.311012D+01  0.863990D-02
                51            52            53            54            55 
      1   0.103883D+01  0.208223D+00  0.940854D+00 -0.107374D+02  0.675420D+02
      2   0.746689D+00 -0.256817D+01  0.885402D+00  0.795695D+01 -0.402964D+02
      3  -0.178552D+01  0.235995D+01 -0.182626D+01  0.278043D+01 -0.272456D+02
      4  -0.251148D+01  0.447625D+01 -0.193671D+01  0.133431D+02  0.225005D+02
      5  -0.226971D+01 -0.787541D+01  0.347864D+01  0.228308D+01 -0.899819D+01
      6   0.702748D+01  0.157772D+02  0.565514D+01 -0.477857D+01 -0.250852D+01
                56            57            58            59            60 
      1   0.381787D+01 -0.400942D+01  0.252431D+01  0.327620D+01  0.556658D+00
      2   0.139311D+01  0.600309D+01  0.818112D+00  0.271978D+01 -0.149107D+00
      3  -0.521098D+01 -0.199366D+01 -0.334242D+01 -0.599598D+01 -0.407551D+00
      4   0.204809D+02 -0.221798D+01  0.161793D+02  0.591557D+01 -0.206118D+01
      5  -0.762106D+00  0.214775D+02 -0.157023D+00 -0.169667D+01  0.165775D+01
      6  -0.906250D+00  0.346610D+01 -0.143837D+01 -0.936388D+00  0.573857D+01
                61            62            63            64            65 
      1  -0.686289D+01  0.598407D+00  0.801961D+01 -0.282698D+00  0.304099D+00
      2   0.695901D+01 -0.197014D+00 -0.105944D+02 -0.405501D+01 -0.331204D+00
      3  -0.961292D-01 -0.401393D+00  0.257479D+01  0.433771D+01  0.271054D-01
      4  -0.274533D+01 -0.423143D+01  0.552167D+01  0.125420D+01  0.210935D+01
      5   0.197236D+02  0.220514D+01 -0.104874D+02 -0.171196D+01  0.178940D+00
      6   0.662641D+01  0.591464D+01 -0.378884D+01 -0.113881D+01 -0.102927D+01
                66            67            68            69            70 
      1   0.161670D+01  0.290150D-01 -0.316669D+01  0.673662D+00  0.167292D+01
      2   0.183340D+01  0.493936D+00  0.649621D+00 -0.242071D+01  0.316625D+01
      3  -0.345010D+01 -0.522951D+00  0.251707D+01  0.174705D+01 -0.483917D+01
      4  -0.948838D+00  0.224778D+01  0.615808D+00 -0.364183D+00 -0.134782D+01
      5   0.719026D+01  0.168892D+00 -0.120007D+01 -0.257538D+00  0.452481D+01
      6   0.154253D+01 -0.106453D+01 -0.165009D+01  0.577055D+01  0.205937D+01
                71            72            73            74            75 
      1   0.269572D+01 -0.179232D+02  0.740695D+01  0.403620D+01 -0.139195D+01
      2  -0.122909D+01 -0.150552D+02  0.135155D+01  0.378913D+01  0.131408D-02
      3  -0.146664D+01  0.329784D+02 -0.875850D+01 -0.782532D+01  0.139064D+01
      4   0.846424D+00  0.135899D+01  0.134012D+02  0.159718D+02 -0.149860D+01
      5   0.607097D+00 -0.503748D+01 -0.800078D+00  0.256480D-02  0.257801D+01
      6   0.525613D+01 -0.107121D+02 -0.616574D+00  0.200765D+00  0.156979D+01
                76            77            78            79            80 
      1   0.350736D+01 -0.622556D+01  0.379425D+00 -0.263258D+01  0.358408D+00
      2   0.647741D+01  0.242879D+02 -0.231099D+01  0.387784D+00 -0.307598D+01
      3  -0.998477D+01 -0.180624D+02  0.193156D+01  0.224479D+01  0.271757D+01
      4   0.192445D+02  0.320370D+02 -0.195145D+01 -0.327122D+01 -0.503926D+01
      5   0.725822D+00 -0.558525D+00  0.344827D+01  0.335644D+01  0.449993D+01
      6   0.974017D+00  0.839381D+00  0.460866D+01  0.260283D+01  0.546582D+01
                81            82            83            84            85 
      1  -0.227399D+01 -0.176860D+01  0.752170D+00  0.492049D+01 -0.179097D+01
      2   0.135978D+01 -0.124623D+01  0.630563D+00 -0.104307D+01  0.208279D+01
      3   0.914212D+00  0.301483D+01 -0.138273D+01 -0.387742D+01 -0.291821D+00
      4   0.518884D+01 -0.245246D-01  0.269627D+01  0.714351D+00  0.279059D+01
      5  -0.422645D+00  0.113781D+01  0.782800D-01  0.353116D+01  0.935169D-02
      6  -0.755081D+00  0.952567D+00 -0.107474D+01 -0.199957D+01  0.260095D+00
                86            87            88            89            90 
      1  -0.221060D+01 -0.116246D+01  0.470664D+01 -0.330561D+01 -0.189635D+02
      2   0.486477D+00  0.189941D+01 -0.314716D+01  0.164557D+01 -0.143581D+02
      3   0.172413D+01 -0.736952D+00 -0.155948D+01  0.166003D+01  0.333216D+02
      4   0.196160D+01  0.223383D+01  0.147877D+01  0.244993D+01  0.262971D+01
      5   0.202612D+01 -0.989602D+00  0.563791D+01  0.161494D+01  0.190979D+02
      6   0.145587D+01  0.536390D+01  0.345259D+00  0.529095D+01  0.117205D+02
                91            92            93            94            95 
      1   0.408925D+01  0.102219D+02  0.168360D+01  0.226352D+01  0.525248D+00
      2  -0.381830D+01 -0.125106D+02 -0.970874D+00 -0.411298D+01  0.118396D+01
      3  -0.270947D+00  0.228872D+01 -0.712723D+00  0.184946D+01 -0.170920D+01
      4  -0.126997D+02 -0.793407D+00  0.140503D+01  0.875654D+00 -0.540558D+01
      5   0.651662D+00  0.600856D+00 -0.158038D+01  0.719429D+00 -0.490647D-01
      6   0.229170D+01 -0.112222D+01 -0.371453D+01 -0.329924D+00  0.360234D+00
                96            97            98            99           100 
      1   0.302176D+00 -0.375815D-01 -0.691395D+00 -0.139622D+01  0.578870D+01
      2   0.499525D-01  0.779324D-02  0.713172D+00 -0.333569D-01 -0.280128D+01
      3  -0.352128D+00  0.297882D-01 -0.217765D-01  0.142958D+01 -0.298742D+01
      4  -0.408582D+00  0.183500D+01 -0.183278D+00 -0.152398D+01 -0.944511D+01
      5  -0.206150D+01  0.132545D+01 -0.583598D+00 -0.934605D+00 -0.565123D+01
      6   0.594280D+00 -0.190761D+01  0.254261D+01  0.108902D+01  0.542698D+01
               101           102           103           104           105 
      1  -0.139587D+01 -0.271634D+01 -0.141279D+01 -0.162975D+01  0.996496D-02
      2  -0.328092D+00  0.216586D+01  0.901068D+00  0.259075D+01  0.143543D+01
      3   0.172396D+01  0.550477D+00  0.511727D+00 -0.961000D+00 -0.144539D+01
      4   0.618244D+01  0.559704D+01  0.236655D+01 -0.400954D-01 -0.168044D+01
      5   0.176297D+01  0.829540D+01  0.337025D+00 -0.119332D+01 -0.196797D+00
      6  -0.201563D+01 -0.846325D+01 -0.127201D+01  0.820260D+00  0.164604D+01
               106           107           108           109           110 
      1  -0.321016D+01 -0.248383D+01  0.223052D+00  0.110366D+02 -0.291949D+01
      2   0.355367D+01  0.361836D+01 -0.556813D+01 -0.341066D+01 -0.101533D+01
      3  -0.343505D+00 -0.113453D+01  0.534508D+01 -0.762590D+01  0.393481D+01
      4   0.800344D+01 -0.454656D+01 -0.828282D+01 -0.197626D+02  0.112333D+02
      5   0.824738D+01 -0.271316D+01 -0.129251D+02  0.109636D+02 -0.436315D+01
      6  -0.905944D+01  0.424756D+01  0.165358D+02 -0.100764D+02  0.485549D+01
               111           112           113           114           115 
      1   0.427647D+01 -0.154428D+01 -0.262352D+01 -0.301382D+00  0.317147D+01
      2  -0.179957D+01 -0.124042D+01  0.525953D+01 -0.168966D+01 -0.212727D+01
      3  -0.247691D+01  0.278470D+01 -0.263601D+01  0.199104D+01 -0.104420D+01
      4  -0.936611D+01  0.784863D+01 -0.355691D+01  0.418515D+01 -0.120479D+02
      5   0.987593D+01 -0.186517D+01  0.227490D+01 -0.129945D+01  0.107322D+02
      6  -0.917162D+01  0.441811D+01 -0.249144D+01  0.453326D+01 -0.113667D+02
               116           117           118           119           120 
      1   0.121440D+01  0.133164D+01  0.485645D+02 -0.958753D+01  0.118389D+02
      2  -0.250460D+01 -0.336787D+01 -0.273770D+02  0.476984D+01 -0.670866D+01
      3   0.129020D+01  0.203623D+01 -0.211875D+02  0.481768D+01 -0.513020D+01
      4   0.577812D+01 -0.102755D+02 -0.108451D+02  0.709093D+01 -0.308236D+01
      5  -0.427909D+01  0.102475D+02  0.152792D+02 -0.319336D+01  0.101728D+02
      6   0.640077D+01 -0.118284D+02 -0.345361D+01  0.131653D+01 -0.140820D+01
               121           122           123           124           125 
      1  -0.625057D+01  0.468236D+01 -0.146729D+01  0.208813D+02 -0.451538D+01
      2   0.298607D+01 -0.147524D+01  0.470171D+00 -0.132714D+02  0.280409D+01
      3   0.326449D+01 -0.320711D+01  0.997122D+00 -0.760992D+01  0.171129D+01
      4   0.836534D+01 -0.425315D+01  0.263073D+01 -0.547562D+01  0.389094D+01
      5  -0.211993D+01  0.270319D+01 -0.153924D+01  0.147302D+02 -0.311350D+01
      6   0.169415D+01 -0.920763D+00  0.191251D+01 -0.267235D+01  0.182611D+01
               126 
      1   0.979216D+01
      2  -0.731156D+01
      3  -0.248059D+01
      4  -0.294155D+01
      5   0.885459D+01
      6  -0.189487D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:28:52 2021, MaxMem=  5368709120 cpu:            1458.5 elap:             182.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.19204 -19.18284 -19.13306 -14.33031 -10.32105
 Alpha  occ. eigenvalues --  -10.26733 -10.24842  -1.09814  -1.05752  -1.01596
 Alpha  occ. eigenvalues --   -0.90517  -0.75891  -0.65939  -0.61513  -0.56790
 Alpha  occ. eigenvalues --   -0.55768  -0.50882  -0.47622  -0.46597  -0.45006
 Alpha  occ. eigenvalues --   -0.43826  -0.42048  -0.39428  -0.37478  -0.33176
 Alpha  occ. eigenvalues --   -0.32451  -0.28923  -0.26951
 Alpha virt. eigenvalues --   -0.01837  -0.00675   0.01680   0.03540   0.04413
 Alpha virt. eigenvalues --    0.06374   0.07904   0.08648   0.08951   0.10232
 Alpha virt. eigenvalues --    0.11865   0.12849   0.13551   0.13836   0.14390
 Alpha virt. eigenvalues --    0.16126   0.16232   0.17805   0.18243   0.19094
 Alpha virt. eigenvalues --    0.20528   0.21373   0.21891   0.23412   0.23839
 Alpha virt. eigenvalues --    0.24732   0.25970   0.26571   0.27895   0.28619
 Alpha virt. eigenvalues --    0.29511   0.29584   0.30795   0.32217   0.32727
 Alpha virt. eigenvalues --    0.32804   0.34217   0.34865   0.35460   0.36688
 Alpha virt. eigenvalues --    0.37817   0.38144   0.39400   0.39716   0.40484
 Alpha virt. eigenvalues --    0.41609   0.41788   0.43938   0.44827   0.45550
 Alpha virt. eigenvalues --    0.46436   0.47470   0.48784   0.49445   0.49937
 Alpha virt. eigenvalues --    0.50804   0.51281   0.52373   0.53361   0.54138
 Alpha virt. eigenvalues --    0.55460   0.55955   0.57494   0.57843   0.59470
 Alpha virt. eigenvalues --    0.60255   0.61508   0.63472   0.64298   0.66142
 Alpha virt. eigenvalues --    0.66280   0.66771   0.67764   0.68814   0.69537
 Alpha virt. eigenvalues --    0.71353   0.72430   0.73239   0.74599   0.77283
 Alpha virt. eigenvalues --    0.78600   0.80220   0.82904   0.84422   0.85388
 Alpha virt. eigenvalues --    0.88108   0.91159   0.91732   0.94455   0.96782
 Alpha virt. eigenvalues --    0.99726   1.00909   1.03494   1.06072   1.07487
 Alpha virt. eigenvalues --    1.08656   1.10638   1.14399   1.16054   1.19285
 Alpha virt. eigenvalues --    1.21165   1.22263   1.27341   1.30580   1.38658
 Alpha virt. eigenvalues --    1.40848   1.43582   1.46272   1.48086   1.50657
 Alpha virt. eigenvalues --    1.51445   1.54286   1.55994   1.58889   1.62248
 Alpha virt. eigenvalues --    1.66586   1.70489   1.71005   1.74055   1.74672
 Alpha virt. eigenvalues --    1.77964   1.80990   1.83820   1.85081   1.86027
 Alpha virt. eigenvalues --    1.87824   1.88861   1.91113   1.96113   1.98436
 Alpha virt. eigenvalues --    2.00781   2.02146   2.04104   2.04875   2.05948
 Alpha virt. eigenvalues --    2.08871   2.13128   2.14638   2.17344   2.18827
 Alpha virt. eigenvalues --    2.20821   2.23344   2.25459   2.29135   2.32874
 Alpha virt. eigenvalues --    2.34695   2.38526   2.40083   2.42951   2.46450
 Alpha virt. eigenvalues --    2.52621   2.55418   2.60135   2.69160   2.82672
 Alpha virt. eigenvalues --    2.85074   2.86808   2.90218   2.93987   2.94522
 Alpha virt. eigenvalues --    2.98727   3.02571   3.02881   3.04160   3.09121
 Alpha virt. eigenvalues --    3.10269   3.15175   3.19696   3.26518   3.37849
 Alpha virt. eigenvalues --    3.45230   3.47609   3.58110   3.60839   3.81538
 Alpha virt. eigenvalues --    3.89936   3.98324
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.175897   0.232201  -0.039279   0.010206   0.097931  -0.036532
     2  C    0.232201   5.696992  -0.200432  -0.048201  -0.009277  -0.382866
     3  C   -0.039279  -0.200432   5.366467   0.003720  -0.040330   0.018704
     4  O    0.010206  -0.048201   0.003720   8.146400  -0.073166   0.023264
     5  O    0.097931  -0.009277  -0.040330  -0.073166   8.244450  -0.018592
     6  N   -0.036532  -0.382866   0.018704   0.023264  -0.018592   8.297803
     7  O    0.000788   0.009707   0.172403   0.022379   0.002136  -0.013228
     8  H   -0.002810   0.251154   0.064324  -0.004736   0.011996   0.067287
     9  H    0.327931   0.061339  -0.006736   0.005002  -0.099436  -0.094448
    10  H    0.276177   0.093371   0.026085   0.007704  -0.040811  -0.041687
    11  H   -0.001767  -0.039457   0.104944   0.204840   0.083359   0.001584
    12  H   -0.028350   0.242083  -0.022433  -0.009726   0.005895  -0.403150
    13  H    0.032478   0.215772  -0.014678  -0.003217   0.001188  -0.401555
    14  H   -0.001382   0.021626  -0.007791   0.014646   0.266541   0.007044
               7          8          9         10         11         12
     1  C    0.000788  -0.002810   0.327931   0.276177  -0.001767  -0.028350
     2  C    0.009707   0.251154   0.061339   0.093371  -0.039457   0.242083
     3  C    0.172403   0.064324  -0.006736   0.026085   0.104944  -0.022433
     4  O    0.022379  -0.004736   0.005002   0.007704   0.204840  -0.009726
     5  O    0.002136   0.011996  -0.099436  -0.040811   0.083359   0.005895
     6  N   -0.013228   0.067287  -0.094448  -0.041687   0.001584  -0.403150
     7  O    8.306485  -0.000330   0.000920  -0.010524  -0.010524   0.023380
     8  H   -0.000330   0.773776  -0.038383   0.012251   0.006807  -0.000995
     9  H    0.000920  -0.038383   1.008264  -0.012133  -0.002865   0.002429
    10  H   -0.010524   0.012251  -0.012133   0.858048  -0.014905   0.001396
    11  H   -0.010524   0.006807  -0.002865  -0.014905   0.534330   0.000277
    12  H    0.023380  -0.000995   0.002429   0.001396   0.000277   1.027207
    13  H   -0.001098  -0.036736   0.013482   0.005231  -0.000054   0.140829
    14  H    0.000919  -0.001948   0.010585  -0.014865  -0.018860  -0.000552
              13         14
     1  C    0.032478  -0.001382
     2  C    0.215772   0.021626
     3  C   -0.014678  -0.007791
     4  O   -0.003217   0.014646
     5  O    0.001188   0.266541
     6  N   -0.401555   0.007044
     7  O   -0.001098   0.000919
     8  H   -0.036736  -0.001948
     9  H    0.013482   0.010585
    10  H    0.005231  -0.014865
    11  H   -0.000054  -0.018860
    12  H    0.140829  -0.000552
    13  H    1.063897  -0.000455
    14  H   -0.000455   0.589944
 Mulliken charges:
               1
     1  C    0.956511
     2  C   -0.144013
     3  C    0.575033
     4  O   -0.299116
     5  O   -0.431887
     6  N   -0.023631
     7  O   -0.503414
     8  H   -0.101657
     9  H   -0.175952
    10  H   -0.145337
    11  H    0.152290
    12  H    0.021709
    13  H   -0.015085
    14  H    0.134549
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.635222
     2  C   -0.245670
     3  C    0.575033
     4  O   -0.146826
     5  O   -0.297339
     6  N   -0.017007
     7  O   -0.503414
 Electronic spatial extent (au):  <R**2>=            766.5390
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.9774    Y=              1.6753    Z=              0.3211  Tot=              4.3278
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.9126   YY=            -48.5494   ZZ=            -39.3349
   XY=             -5.5076   XZ=              4.9417   YZ=              0.1036
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0197   YY=             -5.6171   ZZ=              3.5974
   XY=             -5.5076   XZ=              4.9417   YZ=              0.1036
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             37.0521  YYY=            -10.9827  ZZZ=             -0.0352  XYY=              3.3843
  XXY=              5.7239  XXZ=              6.1048  XZZ=             -0.6539  YZZ=              1.1915
  YYZ=             -0.9835  XYZ=             -1.1455
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -440.3276 YYYY=           -437.4154 ZZZZ=            -70.5323 XXXY=            -34.2283
 XXXZ=             34.4289 YYYX=            -18.9292 YYYZ=              0.0463 ZZZX=              1.6804
 ZZZY=             -0.9612 XXYY=           -129.0741 XXZZ=            -89.1942 YYZZ=            -72.4852
 XXYZ=             -2.8923 YYXZ=              0.9599 ZZXY=             -6.0351
 N-N= 3.265699401368D+02 E-N=-1.586367109220D+03  KE= 3.950350203697D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:28:52 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54870977D+00 6.43249652D-01 1.30228296D-01
 Polarizability= 6.32193334D+01-2.58433716D+00 5.62968229D+01
                -7.22743658D-01 6.51250975D-01 4.40968707D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4973    0.4978       -1.0935   -1.0938
 2     -0.4973   -0.4978       -0.3027   -0.3027       -3.3278   -3.3259
 3      1.0935    1.0938       10.3217   10.3206        0.3023    0.3027
 4      0.3027    0.3027        0.0000    0.0000        1.0927    1.0938
 5     -6.9939   -6.9947       -1.0927   -1.0938        0.4973    0.4978
 6     -0.3023   -0.3027       -0.4973   -0.4978       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.4934   -1.4934       -3.2814   -3.2814
 2      0.9081    0.9081       -0.0000    0.0000       -3.2814   -3.2814
 3      0.9081    0.9081       -1.4934   -1.4934       -0.0000    0.0000
 4     -1.4934   -1.4934       -0.9081   -0.9081       -9.9778   -9.9778
 5      3.2814    3.2814       30.9618   30.9618        0.9081    0.9081
 6    -20.9840  -20.9840       -3.2814   -3.2814        1.4934    1.4934
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0116    0.0000       -1.9490   -1.9912        4.3840    4.3753
 2      1.9806    1.9912        1.2404    1.2108       13.3508   13.3037
 3     -4.3982   -4.3753      -41.3199  -41.2824       -1.2369   -1.2108
 4     -1.1842   -1.2108        0.0009    0.0000       -4.3914   -4.3753
 5     27.9258   27.9787        4.3896    4.3753       -1.9926   -1.9912
 6      1.2135    1.2108        1.9712    1.9912        0.0211    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0095    0.0000       -6.6947   -6.6580       -3.4396   -3.4512
 2      6.7010    6.6580        2.9844    2.9224      -10.2334  -10.2851
 3      3.4649    3.4512       10.8735   10.8749       -2.8985   -2.9224
 4     -2.9038   -2.9224        0.0127    0.0000        3.4630    3.4512
 5     -0.6067   -0.5899       -3.4424   -3.4512       -6.6876   -6.6580
 6      2.9143    2.9224        6.6562    6.6580       -0.0631    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      3.6477    3.6422       14.6665   14.6015       14.6081   14.6022
 2     -4.6654   -4.6617        8.0004    7.9641       14.6661   14.6022
 3     -4.6549   -4.6617       14.6850   14.6015       18.0386   18.0002
 4      6.6791    6.6374        8.3596    8.3039       -8.4960   -8.5130
 5      3.3793    3.3980       14.0025   14.0504       -8.3771   -8.3039
 6     -5.5700   -5.5374       -3.3512   -3.3980       -6.6062   -6.6374
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0010   -0.0009   -0.0004    2.9596    5.7483    8.8004
 Low frequencies ---   47.9717   96.8332  151.5223
 Diagonal vibrational polarizability:
       67.4860253      35.6629800     386.9730278
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     47.9669                96.8329               151.5216
 Red. masses --      1.7485                 1.9636                 2.6078
 Frc consts  --      0.0024                 0.0108                 0.0353
 IR Inten    --     30.8864                18.3910                 5.3327
 RamAct Fr= 1--      0.1749                 0.7051                 0.1224
  Dep-P Fr= 1--      0.6213                 0.6899                 0.6616
  Dep-U Fr= 1--      0.7664                 0.8165                 0.7963
 Alpha2 Fr= 1--      0.0004                 0.0007                 0.0002
 Beta2  Fr= 1--      0.0223                 0.0959                 0.0162
 AlphaG Fr= 1--     -0.0037                -0.0036                -0.0005
 Gamma2 Fr= 1--      0.2430                -0.1402                 0.0319
 Delta2 Fr= 1--      0.1691                 0.0433                -0.0008
 Raman1 Fr= 1--       0.700                  2.820                  0.490
 ROA1   Fr= 1--      28.743                -12.076                  3.042
 CID1   Fr= 1--      41.076                 -4.282                  6.215
 Raman2 Fr= 1--       0.268                  1.151                  0.195
 ROA2   Fr= 1--       4.480                 -3.711                  0.773
 CID2   Fr= 1--      16.707                 -3.223                  3.964
 Raman3 Fr= 1--       0.536                  2.303                  0.390
 ROA3   Fr= 1--      28.743                -12.076                  3.042
 CID3   Fr= 1--      53.594                 -5.244                  7.804
 RC180  Fr= 1--       0.533                  0.633                  0.593
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03     0.02  -0.03  -0.01    -0.06  -0.12   0.20
     2   6     0.00  -0.00  -0.02    -0.00   0.01   0.02     0.03  -0.02   0.04
     3   6     0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.02   0.01   0.02
     4   8    -0.02   0.00  -0.13     0.03   0.02   0.16    -0.02  -0.00   0.03
     5   8    -0.00  -0.01   0.05     0.01  -0.00  -0.10     0.05   0.12  -0.15
     6   7    -0.02  -0.01  -0.04    -0.01  -0.01   0.10     0.02   0.01  -0.14
     7   8     0.05   0.01   0.16    -0.04   0.00  -0.12    -0.01   0.02   0.03
     8   1     0.05  -0.02  -0.01    -0.02   0.04   0.02     0.19  -0.07   0.08
     9   1    -0.01  -0.01   0.05     0.01  -0.02   0.02    -0.13   0.01   0.58
    10   1    -0.06  -0.01   0.02     0.06  -0.08  -0.01    -0.12  -0.54   0.17
    11   1    -0.02   0.00  -0.15     0.03   0.03   0.15    -0.04  -0.02  -0.08
    12   1    -0.53  -0.26  -0.35    -0.54  -0.33  -0.23     0.08   0.18  -0.09
    13   1     0.40   0.33  -0.41     0.42   0.41  -0.26    -0.03  -0.15  -0.12
    14   1    -0.06  -0.06   0.12     0.07   0.02  -0.18     0.07   0.02  -0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.6581               292.3915               312.4592
 Red. masses --      2.7899                 1.7026                 3.9498
 Frc consts  --      0.1143                 0.0858                 0.2272
 IR Inten    --      6.9488                89.5744                26.9409
 RamAct Fr= 1--      0.4134                 0.5671                 1.1512
  Dep-P Fr= 1--      0.6064                 0.7314                 0.2344
  Dep-U Fr= 1--      0.7550                 0.8449                 0.3797
 Alpha2 Fr= 1--      0.0011                 0.0002                 0.0142
 Beta2  Fr= 1--      0.0520                 0.0799                 0.0729
 AlphaG Fr= 1--     -0.0026                 0.0007                -0.0083
 Gamma2 Fr= 1--      0.1684                 0.3059                -0.0249
 Delta2 Fr= 1--      0.0472                 0.0586                -0.0288
 Raman1 Fr= 1--       1.654                  2.269                  4.605
 ROA1   Fr= 1--      17.683                 31.239                 -3.316
 CID1   Fr= 1--      10.694                 13.771                 -0.720
 Raman2 Fr= 1--       0.624                  0.958                  0.874
 ROA2   Fr= 1--       3.665                  6.873                 -0.368
 CID2   Fr= 1--       5.872                  7.172                 -0.421
 Raman3 Fr= 1--       1.248                  1.917                  1.749
 ROA3   Fr= 1--      17.683                 31.239                 -3.316
 CID3   Fr= 1--      14.165                 16.299                 -1.897
 RC180  Fr= 1--       0.510                  0.690                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.07   0.02    -0.00  -0.01  -0.05    -0.02  -0.02   0.03
     2   6    -0.05   0.07  -0.04    -0.02  -0.04  -0.04     0.07   0.03  -0.11
     3   6     0.03   0.03  -0.02    -0.05  -0.00  -0.01     0.12   0.04  -0.10
     4   8     0.18   0.12   0.04    -0.04  -0.00   0.02    -0.01  -0.04   0.07
     5   8    -0.14  -0.12  -0.04     0.16   0.09  -0.02    -0.05  -0.03  -0.02
     6   7    -0.00   0.10  -0.03     0.02  -0.02   0.04    -0.20  -0.17   0.06
     7   8     0.04  -0.09   0.02    -0.05   0.00   0.01     0.15   0.26  -0.00
     8   1    -0.02   0.10  -0.03    -0.07  -0.02  -0.05     0.12   0.18  -0.10
     9   1     0.05  -0.11   0.14    -0.08   0.04  -0.01     0.06  -0.02   0.21
    10   1    -0.13  -0.18   0.00    -0.03  -0.03  -0.06    -0.15  -0.16   0.00
    11   1     0.16   0.25  -0.01    -0.06   0.02  -0.09    -0.01  -0.12  -0.03
    12   1     0.07   0.15   0.02     0.04  -0.06   0.04    -0.09  -0.44   0.10
    13   1    -0.05   0.08   0.02     0.02   0.06   0.06    -0.36  -0.39   0.18
    14   1    -0.45  -0.59   0.32    -0.42  -0.49   0.70    -0.16  -0.21   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.5246               417.6098               535.9993
 Red. masses --      2.5809                 4.9865                 5.0811
 Frc consts  --      0.1837                 0.5124                 0.8601
 IR Inten    --     26.6146                 3.5388                 2.9888
 RamAct Fr= 1--      0.3679                 3.0671                 4.9953
  Dep-P Fr= 1--      0.6701                 0.7300                 0.1046
  Dep-U Fr= 1--      0.8025                 0.8439                 0.1894
 Alpha2 Fr= 1--      0.0005                 0.0010                 0.0865
 Beta2  Fr= 1--      0.0492                 0.4314                 0.1577
 AlphaG Fr= 1--     -0.0077                 0.0011                -0.0125
 Gamma2 Fr= 1--     -0.0110                 0.3263                 0.2294
 Delta2 Fr= 1--     -0.0562                -0.0627                 0.0090
 Raman1 Fr= 1--       1.472                 12.268                 19.981
 ROA1   Fr= 1--      -2.851                 29.315                 22.308
 CID1   Fr= 1--      -1.937                  2.389                  1.116
 Raman2 Fr= 1--       0.591                  5.177                  1.892
 ROA2   Fr= 1--       0.186                  8.332                  5.433
 CID2   Fr= 1--       0.315                  1.609                  2.871
 Raman3 Fr= 1--       1.181                 10.354                  3.784
 ROA3   Fr= 1--      -2.851                 29.315                 22.308
 CID3   Fr= 1--      -2.414                  2.831                  5.894
 RC180  Fr= 1--       0.605                  0.688                 -0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.10   0.05     0.09  -0.16  -0.03     0.11  -0.04  -0.00
     2   6     0.05   0.02   0.21    -0.06  -0.03   0.03    -0.01   0.25  -0.05
     3   6     0.03  -0.00   0.11    -0.10   0.11   0.04     0.03   0.00  -0.09
     4   8    -0.03  -0.02  -0.05     0.08   0.27  -0.06    -0.14  -0.15   0.08
     5   8    -0.05  -0.02  -0.08     0.24  -0.15   0.05     0.16  -0.09   0.02
     6   7    -0.11  -0.02  -0.08    -0.19  -0.09  -0.04    -0.20   0.26  -0.02
     7   8    -0.02   0.00  -0.07    -0.11   0.02   0.02     0.07  -0.15   0.02
     8   1     0.09  -0.10   0.22    -0.11  -0.08   0.02    -0.04   0.42  -0.05
     9   1     0.18   0.04  -0.16     0.07  -0.16  -0.05     0.26  -0.07   0.18
    10   1     0.40   0.20   0.08     0.13  -0.15  -0.03     0.02  -0.18  -0.03
    11   1    -0.03   0.01  -0.03     0.09   0.36   0.05    -0.12  -0.40  -0.06
    12   1    -0.19   0.11  -0.12    -0.14  -0.10  -0.02    -0.18   0.25  -0.00
    13   1    -0.05  -0.28  -0.19    -0.27  -0.36  -0.02    -0.23   0.10  -0.03
    14   1    -0.27  -0.50   0.16     0.41   0.25  -0.13     0.16   0.05   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    612.5585               735.1443               762.0469
 Red. masses --      4.4816                 3.7228                 1.2610
 Frc consts  --      0.9908                 1.1854                 0.4315
 IR Inten    --     23.0235                12.5882                75.9020
 RamAct Fr= 1--      2.3544                 2.5767                 3.0480
  Dep-P Fr= 1--      0.7379                 0.0529                 0.2099
  Dep-U Fr= 1--      0.8492                 0.1005                 0.3470
 Alpha2 Fr= 1--      0.0005                 0.0505                 0.0403
 Beta2  Fr= 1--      0.3332                 0.0432                 0.1763
 AlphaG Fr= 1--      0.0037                 0.0110                 0.0825
 Gamma2 Fr= 1--     -0.9553                -0.1645                -0.0993
 Delta2 Fr= 1--      0.0677                -0.1406                 0.4097
 Raman1 Fr= 1--       9.418                 10.307                 12.192
 ROA1   Fr= 1--     -89.545                -20.294                  3.578
 CID1   Fr= 1--      -9.508                 -1.969                  0.294
 Raman2 Fr= 1--       3.999                  0.518                  2.115
 ROA2   Fr= 1--     -23.470                 -2.824                 -5.660
 CID2   Fr= 1--      -5.869                 -5.453                 -2.676
 Raman3 Fr= 1--       7.997                  1.036                  4.231
 ROA3   Fr= 1--     -89.545                -20.294                  3.578
 CID3   Fr= 1--     -11.197                -19.593                  0.846
 RC180  Fr= 1--       0.698                 -0.799                 -0.306
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.11  -0.09    -0.06  -0.02  -0.08     0.03   0.03   0.02
     2   6    -0.20  -0.07   0.13     0.07   0.04  -0.08     0.02   0.03  -0.04
     3   6     0.11  -0.07   0.16     0.16   0.14   0.30    -0.05  -0.05  -0.02
     4   8     0.12  -0.14  -0.08    -0.15   0.08  -0.06     0.02  -0.04  -0.05
     5   8     0.08  -0.03   0.00    -0.01   0.01  -0.00     0.01  -0.00  -0.02
     6   7    -0.06   0.14  -0.00     0.02  -0.03   0.01    -0.00   0.01   0.00
     7   8     0.07   0.21  -0.09     0.07  -0.13  -0.09    -0.04   0.02   0.04
     8   1    -0.42  -0.17   0.09    -0.22  -0.23  -0.13     0.05   0.04  -0.03
     9   1    -0.23  -0.08  -0.09     0.06   0.02   0.30     0.08   0.02   0.10
    10   1    -0.10  -0.12  -0.08    -0.38  -0.25  -0.13    -0.00  -0.04   0.01
    11   1     0.16  -0.10   0.20    -0.03  -0.20   0.44     0.16   0.12   0.95
    12   1    -0.10   0.46   0.00    -0.00  -0.27  -0.03     0.01  -0.06   0.00
    13   1     0.04   0.20  -0.08    -0.03  -0.08   0.05    -0.03   0.01   0.02
    14   1    -0.01   0.19   0.17    -0.08   0.08   0.11    -0.02  -0.08   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    813.5457               898.5335               991.0884
 Red. masses --      2.7960                 1.5223                 2.1300
 Frc consts  --      1.0903                 0.7241                 1.2327
 IR Inten    --     12.6564               148.5052                 7.5063
 RamAct Fr= 1--      4.7683                 1.5260                 6.6370
  Dep-P Fr= 1--      0.0676                 0.1122                 0.3340
  Dep-U Fr= 1--      0.1266                 0.2018                 0.5008
 Alpha2 Fr= 1--      0.0903                 0.0259                 0.0613
 Beta2  Fr= 1--      0.1006                 0.0513                 0.5539
 AlphaG Fr= 1--     -0.0853                -0.0217                -0.0541
 Gamma2 Fr= 1--      0.0565                -0.0635                -1.0438
 Delta2 Fr= 1--      0.1652                 0.0746                -0.1682
 Raman1 Fr= 1--      19.073                  6.104                 26.548
 ROA1   Fr= 1--      10.711                 -3.712               -105.590
 CID1   Fr= 1--       0.562                 -0.608                 -3.977
 Raman2 Fr= 1--       1.207                  0.616                  6.647
 ROA2   Fr= 1--       0.035                 -2.122                -23.706
 CID2   Fr= 1--       0.029                 -3.445                 -3.566
 Raman3 Fr= 1--       2.414                  1.232                 13.294
 ROA3   Fr= 1--      10.711                 -3.712               -105.590
 CID3   Fr= 1--       4.437                 -3.014                 -7.942
 RC180  Fr= 1--      -0.747                 -0.596                  0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00     0.06   0.05   0.03    -0.01   0.07   0.17
     2   6     0.07   0.08  -0.14    -0.07   0.03  -0.03    -0.10  -0.12  -0.13
     3   6    -0.06  -0.10   0.19     0.01   0.01   0.01     0.04   0.00   0.05
     4   8     0.12  -0.09  -0.02    -0.01   0.01  -0.00    -0.03   0.02  -0.00
     5   8    -0.01  -0.01   0.03     0.01  -0.01   0.00     0.05  -0.04  -0.03
     6   7    -0.01   0.04   0.00    -0.05  -0.16  -0.02    -0.03   0.09  -0.00
     7   8    -0.15   0.06  -0.02     0.02   0.00  -0.01     0.03  -0.00  -0.03
     8   1    -0.13  -0.04  -0.17    -0.12   0.06  -0.04     0.13  -0.34  -0.07
     9   1     0.31   0.05   0.38     0.13   0.04   0.15    -0.13   0.03  -0.21
    10   1    -0.25  -0.18  -0.06    -0.02  -0.06   0.02     0.20   0.32   0.21
    11   1    -0.01   0.17  -0.59    -0.01  -0.00   0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.25  -0.01     0.28   0.53   0.19     0.08  -0.34   0.02
    13   1    -0.09   0.04   0.08     0.17   0.67  -0.04    -0.23   0.32   0.23
    14   1     0.07  -0.06  -0.11     0.05  -0.09  -0.07     0.15  -0.34  -0.22
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1028.3208              1056.6756              1155.0227
 Red. masses --      4.3433                 2.0606                 1.4496
 Frc consts  --      2.7060                 1.3556                 1.1394
 IR Inten    --    105.1666                 8.3834                 4.1778
 RamAct Fr= 1--      1.7123                 0.8558                 0.3200
  Dep-P Fr= 1--      0.4450                 0.7480                 0.4011
  Dep-U Fr= 1--      0.6160                 0.8558                 0.5726
 Alpha2 Fr= 1--      0.0107                 0.0000                 0.0024
 Beta2  Fr= 1--      0.1758                 0.1221                 0.0305
 AlphaG Fr= 1--     -0.0073                 0.0003                -0.0001
 Gamma2 Fr= 1--     -0.3152                -0.6487                 0.0882
 Delta2 Fr= 1--     -0.0274                -0.1531                -0.0188
 Raman1 Fr= 1--       6.849                  3.423                  1.280
 ROA1   Fr= 1--     -31.136                -67.174                  7.867
 CID1   Fr= 1--      -4.546                -19.622                  6.146
 Raman2 Fr= 1--       2.109                  1.465                  0.366
 ROA2   Fr= 1--      -7.346                -14.345                  2.268
 CID2   Fr= 1--      -3.483                 -9.792                  6.189
 Raman3 Fr= 1--       4.219                  2.930                  0.733
 ROA3   Fr= 1--     -31.136                -67.174                  7.867
 CID3   Fr= 1--      -7.380                -22.928                 10.734
 RC180  Fr= 1--       0.232                  0.712                  0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.31  -0.20  -0.06     0.01   0.20  -0.02     0.01   0.04  -0.07
     2   6    -0.09  -0.16  -0.04    -0.06  -0.09   0.07     0.10  -0.09   0.03
     3   6     0.01   0.02  -0.06     0.00  -0.06  -0.09    -0.01  -0.04  -0.02
     4   8    -0.01   0.02   0.00    -0.04   0.05   0.02    -0.01   0.03   0.00
     5   8    -0.15   0.21   0.11     0.04  -0.08  -0.01    -0.02  -0.03  -0.01
     6   7    -0.04   0.10   0.01     0.04   0.03   0.01    -0.08   0.05   0.00
     7   8     0.05   0.00  -0.00     0.05   0.00   0.01     0.00   0.00   0.00
     8   1    -0.50  -0.36  -0.12    -0.44  -0.15  -0.01     0.44  -0.36   0.10
     9   1     0.22  -0.08   0.17     0.13   0.26   0.49    -0.03   0.12   0.17
    10   1     0.13  -0.28  -0.07    -0.37  -0.25  -0.10     0.14  -0.32  -0.08
    11   1     0.00  -0.01   0.12    -0.04   0.09  -0.03    -0.01   0.02  -0.02
    12   1    -0.09  -0.02  -0.02    -0.14   0.03  -0.08     0.11  -0.03   0.09
    13   1    -0.12   0.03   0.06     0.03  -0.29  -0.05    -0.11   0.42   0.11
    14   1     0.01  -0.27  -0.20     0.10  -0.13  -0.09    -0.16   0.39   0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1178.5771              1215.5463              1237.8635
 Red. masses --      1.9319                 2.5279                 1.1317
 Frc consts  --      1.5811                 2.2006                 1.0217
 IR Inten    --     53.0482                46.6451                 2.3093
 RamAct Fr= 1--      0.9753                 7.5198                 2.6563
  Dep-P Fr= 1--      0.6749                 0.4311                 0.6360
  Dep-U Fr= 1--      0.8059                 0.6025                 0.7775
 Alpha2 Fr= 1--      0.0013                 0.0496                 0.0055
 Beta2  Fr= 1--      0.1310                 0.7551                 0.3442
 AlphaG Fr= 1--      0.0130                 0.0643                -0.0079
 Gamma2 Fr= 1--      0.5053                 0.2760                 0.0247
 Delta2 Fr= 1--     -0.3713                 0.8817                 0.3599
 Raman1 Fr= 1--       3.901                 30.079                 10.625
 ROA1   Fr= 1--      36.628                 54.710                 13.883
 CID1   Fr= 1--       9.389                  1.819                  1.307
 Raman2 Fr= 1--       1.572                  9.061                  4.131
 ROA2   Fr= 1--      15.098                 -0.429                 -2.287
 CID2   Fr= 1--       9.604                 -0.047                 -0.554
 Raman3 Fr= 1--       3.144                 18.122                  8.261
 ROA3   Fr= 1--      36.628                 54.710                 13.883
 CID3   Fr= 1--      11.650                  3.019                  1.680
 RC180  Fr= 1--       0.612                  0.205                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01    -0.02   0.03  -0.03    -0.03  -0.02   0.04
     2   6     0.16  -0.11  -0.06     0.11  -0.05   0.04     0.04   0.00   0.03
     3   6     0.01  -0.11   0.04    -0.05   0.27  -0.06    -0.01  -0.02  -0.04
     4   8    -0.04   0.06  -0.00     0.09  -0.11  -0.01    -0.00   0.01   0.00
     5   8     0.01   0.03   0.01     0.01  -0.02   0.01     0.01   0.02  -0.04
     6   7    -0.08   0.05   0.06    -0.05   0.01   0.03    -0.01   0.00  -0.00
     7   8     0.01   0.00  -0.01    -0.06  -0.02   0.03     0.01   0.00   0.01
     8   1     0.13   0.31  -0.08    -0.04  -0.45   0.02    -0.19  -0.34  -0.00
     9   1    -0.12  -0.03  -0.13    -0.29   0.16   0.01     0.61  -0.37  -0.08
    10   1    -0.34   0.21  -0.04    -0.42   0.08  -0.08    -0.35   0.37   0.04
    11   1    -0.06   0.21   0.02     0.12  -0.35   0.02     0.00  -0.01  -0.00
    12   1    -0.13   0.57   0.07     0.00   0.16   0.07     0.03  -0.01   0.02
    13   1     0.12  -0.06  -0.16     0.03   0.06  -0.03    -0.02   0.08   0.02
    14   1     0.13  -0.33  -0.23     0.13  -0.36  -0.22    -0.08   0.19   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1283.5480              1337.9390              1396.0612
 Red. masses --      1.6478                 1.3218                 1.2687
 Frc consts  --      1.5995                 1.3941                 1.4569
 IR Inten    --     31.7659                 3.2232                29.9582
 RamAct Fr= 1--      1.2342                 7.0937                 1.9036
  Dep-P Fr= 1--      0.2440                 0.6815                 0.5285
  Dep-U Fr= 1--      0.3923                 0.8106                 0.6915
 Alpha2 Fr= 1--      0.0149                 0.0086                 0.0082
 Beta2  Fr= 1--      0.0807                 0.9583                 0.2194
 AlphaG Fr= 1--      0.0044                 0.0060                -0.0103
 Gamma2 Fr= 1--     -0.1597                -0.0647                -0.1999
 Delta2 Fr= 1--     -0.0890                 0.3143                -0.4228
 Raman1 Fr= 1--       4.937                 28.375                  7.614
 ROA1   Fr= 1--     -18.178                  3.850                -32.724
 CID1   Fr= 1--      -3.682                  0.136                 -4.298
 Raman2 Fr= 1--       0.968                 11.500                  2.633
 ROA2   Fr= 1--      -3.120                 -4.066                 -1.416
 CID2   Fr= 1--      -3.223                 -0.354                 -0.538
 Raman3 Fr= 1--       1.936                 23.000                  5.265
 ROA3   Fr= 1--     -18.178                  3.850                -32.724
 CID3   Fr= 1--      -9.387                  0.167                 -6.215
 RC180  Fr= 1--      -0.215                  0.621                  0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.09     0.02   0.02  -0.05     0.05  -0.01   0.02
     2   6    -0.00  -0.12  -0.11    -0.13  -0.07   0.01     0.04  -0.07   0.07
     3   6    -0.00   0.09   0.02     0.01   0.04   0.03     0.01  -0.01   0.00
     4   8     0.03  -0.02  -0.01     0.01  -0.00  -0.01     0.01   0.03  -0.00
     5   8    -0.02  -0.03  -0.04     0.00   0.02   0.01    -0.01  -0.01  -0.02
     6   7    -0.00   0.01   0.05     0.02   0.00   0.01    -0.00   0.01  -0.07
     7   8    -0.03  -0.01   0.00    -0.02  -0.00  -0.00    -0.03   0.00   0.01
     8   1    -0.19   0.24  -0.17     0.72   0.29   0.17    -0.27   0.59  -0.01
     9   1     0.12  -0.01   0.02     0.40  -0.14   0.08    -0.18   0.09  -0.01
    10   1     0.28  -0.01   0.12    -0.30   0.00  -0.09    -0.31   0.16  -0.01
    11   1     0.06  -0.24  -0.02     0.05  -0.20   0.00     0.07  -0.32   0.02
    12   1    -0.18   0.37  -0.01    -0.06   0.02  -0.03     0.12  -0.32  -0.03
    13   1     0.12  -0.27  -0.13    -0.02  -0.07   0.02    -0.17   0.31   0.15
    14   1    -0.22   0.47   0.33     0.04  -0.09  -0.06    -0.06   0.10   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1426.5506              1439.6075              1522.2237
 Red. masses --      1.3598                 1.5048                 1.0836
 Frc consts  --      1.6304                 1.8375                 1.4793
 IR Inten    --    260.8110                 6.9666                 2.6525
 RamAct Fr= 1--      2.9956                 2.4733                 5.1474
  Dep-P Fr= 1--      0.0715                 0.6266                 0.7376
  Dep-U Fr= 1--      0.1335                 0.7704                 0.8490
 Alpha2 Fr= 1--      0.0562                 0.0056                 0.0011
 Beta2  Fr= 1--      0.0667                 0.3176                 0.7284
 AlphaG Fr= 1--     -0.0051                 0.0038                 0.0058
 Gamma2 Fr= 1--      0.2361                 0.2623                -0.0937
 Delta2 Fr= 1--      0.0011                -0.5351                -0.0961
 Raman1 Fr= 1--      11.982                  9.893                 20.590
 ROA1   Fr= 1--      22.702                  8.061                -12.068
 CID1   Fr= 1--       1.895                  0.815                 -0.586
 Raman2 Fr= 1--       0.800                  3.811                  8.740
 ROA2   Fr= 1--       5.658                 10.577                 -1.479
 CID2   Fr= 1--       7.073                  2.775                 -0.169
 Raman3 Fr= 1--       1.600                  7.622                 17.481
 ROA3   Fr= 1--      22.702                  8.061                -12.068
 CID3   Fr= 1--      14.191                  1.058                 -0.690
 RC180  Fr= 1--      -0.733                  0.541                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.02    -0.14   0.04  -0.04    -0.02  -0.05  -0.06
     2   6    -0.01  -0.05   0.02     0.07  -0.08   0.03    -0.01  -0.01  -0.00
     3   6    -0.02   0.10   0.01    -0.01   0.06  -0.00    -0.01   0.01   0.00
     4   8    -0.02  -0.09   0.01     0.00  -0.03   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.01  -0.02     0.01   0.03   0.04     0.00  -0.01  -0.01
     6   7     0.00   0.00  -0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   8     0.05  -0.02  -0.01    -0.00  -0.01   0.00     0.01  -0.00  -0.00
     8   1     0.02   0.19   0.02    -0.23   0.33  -0.04     0.04   0.01   0.01
     9   1    -0.05   0.01  -0.06     0.47  -0.24   0.07    -0.03   0.16   0.69
    10   1    -0.21   0.04  -0.01     0.53  -0.26   0.02     0.24   0.65   0.05
    11   1    -0.19   0.89  -0.01    -0.01   0.09  -0.00    -0.01   0.05  -0.00
    12   1     0.01  -0.07  -0.01     0.07  -0.14   0.00     0.00   0.01   0.00
    13   1    -0.05   0.06   0.04    -0.05   0.16   0.05     0.00  -0.00  -0.00
    14   1    -0.05   0.18   0.09     0.12  -0.25  -0.17     0.00   0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1681.7202              1830.5424              3013.8551
 Red. masses --      1.0843                 9.2152                 1.0662
 Frc consts  --      1.8068                18.1935                 5.7060
 IR Inten    --     23.5558               315.4206                22.1728
 RamAct Fr= 1--      2.2984                18.0552               159.2424
  Dep-P Fr= 1--      0.5741                 0.2865                 0.1018
  Dep-U Fr= 1--      0.7294                 0.4454                 0.1848
 Alpha2 Fr= 1--      0.0076                 0.1927                 2.7756
 Beta2  Fr= 1--      0.2794                 1.3404                 4.9060
 AlphaG Fr= 1--     -0.0043                -0.1663                 0.3537
 Gamma2 Fr= 1--     -0.1353                -0.4784                -3.2777
 Delta2 Fr= 1--      0.0954                -0.1694                -3.4053
 Raman1 Fr= 1--       9.194                 72.221                636.970
 ROA1   Fr= 1--      -9.938                -51.346               -423.624
 CID1   Fr= 1--      -1.081                 -0.711                 -0.665
 Raman2 Fr= 1--       3.353                 16.085                 58.872
 ROA2   Fr= 1--      -4.011                -10.126                -51.422
 CID2   Fr= 1--      -1.196                 -0.629                 -0.873
 Raman3 Fr= 1--       6.706                 32.170                117.743
 ROA3   Fr= 1--      -9.938                -51.346               -423.624
 CID3   Fr= 1--      -1.482                 -1.596                 -3.598
 RC180  Fr= 1--       0.459                 -0.109                 -0.630
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.07
     2   6    -0.02  -0.02   0.00    -0.03  -0.01   0.01    -0.00   0.00   0.03
     3   6    -0.00   0.00   0.00     0.67   0.01  -0.18     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   7    -0.06   0.04   0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.42  -0.01   0.11    -0.00  -0.00   0.00
     8   1    -0.00   0.04   0.01    -0.04  -0.09  -0.00     0.07  -0.01  -0.31
     9   1     0.01   0.00   0.00    -0.00  -0.02   0.02     0.13   0.27  -0.09
    10   1    -0.02   0.00   0.00     0.03   0.03   0.00    -0.12  -0.08   0.88
    11   1     0.00  -0.01   0.00    -0.09   0.54  -0.00    -0.01   0.00   0.00
    12   1     0.57  -0.31   0.30     0.04   0.03   0.03    -0.00  -0.00   0.00
    13   1     0.44  -0.17  -0.50     0.03   0.03  -0.03     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01     0.01   0.03   0.01     0.00  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3036.4771              3086.1292              3493.2685
 Red. masses --      1.0800                 1.1019                 1.0520
 Frc consts  --      5.8668                 6.1836                 7.5635
 IR Inten    --     22.2558                23.0926                 5.6710
 RamAct Fr= 1--     37.2406                85.9799                91.4583
  Dep-P Fr= 1--      0.3882                 0.3728                 0.0646
  Dep-U Fr= 1--      0.5593                 0.5431                 0.1214
 Alpha2 Fr= 1--      0.2876                 0.7000                 1.7446
 Beta2  Fr= 1--      3.4714                 7.7829                 1.8501
 AlphaG Fr= 1--      0.0695                 0.2140                -0.0149
 Gamma2 Fr= 1--      0.2646                 3.5046                -0.5226
 Delta2 Fr= 1--     -2.1843                 4.0187                -0.8746
 Raman1 Fr= 1--     148.962                343.920                365.833
 ROA1   Fr= 1--     -44.494                465.042                -78.151
 CID1   Fr= 1--      -0.299                  1.352                 -0.214
 Raman2 Fr= 1--      41.657                 93.394                 22.201
 ROA2   Fr= 1--      23.825                 51.961                 -5.545
 CID2   Fr= 1--       0.572                  0.556                 -0.250
 Raman3 Fr= 1--      83.314                186.789                 44.402
 ROA3   Fr= 1--     -44.494                465.042                -78.151
 CID3   Fr= 1--      -0.534                  2.490                 -1.760
 RC180  Fr= 1--       0.119                  0.086                 -0.757
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.04  -0.07   0.05    -0.00  -0.00  -0.00
     2   6     0.02  -0.00  -0.08    -0.00  -0.00   0.01     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.05  -0.00  -0.03
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.18   0.02   0.92     0.02  -0.00  -0.12    -0.00   0.00   0.01
     9   1     0.10   0.20  -0.06     0.40   0.81  -0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.26     0.03   0.02  -0.35     0.00  -0.00   0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.00
    12   1     0.01   0.01  -0.02     0.00  -0.00   0.00    -0.39  -0.06   0.76
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.34   0.08  -0.38
    14   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3516.6006              3562.2513              3820.1123
 Red. masses --      1.0670                 1.0892                 1.0667
 Frc consts  --      7.7740                 8.1431                 9.1715
 IR Inten    --    357.2883                 8.5247                56.3317
 RamAct Fr= 1--     70.3602                55.6042               128.3332
  Dep-P Fr= 1--      0.1447                 0.5442                 0.2234
  Dep-U Fr= 1--      0.2529                 0.7048                 0.3652
 Alpha2 Fr= 1--      1.1023                 0.2195                 1.6369
 Beta2  Fr= 1--      2.9652                 6.5321                 7.8106
 AlphaG Fr= 1--     -0.0276                 0.3597                -0.2434
 Gamma2 Fr= 1--      1.2167                -1.5942                 0.0526
 Delta2 Fr= 1--     -0.9337                 0.1131                 1.8493
 Raman1 Fr= 1--     281.441                222.417                513.333
 ROA1   Fr= 1--      86.926               -149.422                 64.223
 CID1   Fr= 1--       0.309                 -0.672                  0.125
 Raman2 Fr= 1--      35.582                 78.385                 93.727
 ROA2   Fr= 1--      36.671                -39.165                -13.533
 CID2   Fr= 1--       1.031                 -0.500                 -0.144
 Raman3 Fr= 1--      71.165                156.770                187.454
 ROA3   Fr= 1--      86.926               -149.422                 64.223
 CID3   Fr= 1--       1.221                 -0.953                  0.343
 RC180  Fr= 1--      -0.494                  0.410                 -0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   8    -0.06  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.01  -0.04
     6   7     0.00  -0.00  -0.00    -0.02   0.01  -0.07     0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.97   0.16  -0.16    -0.02  -0.00   0.00    -0.02  -0.00   0.00
    12   1    -0.01  -0.00   0.02    -0.26  -0.05   0.44    -0.00   0.00   0.00
    13   1     0.00   0.00   0.00     0.60  -0.12   0.60     0.00  -0.00   0.00
    14   1     0.02   0.00   0.01    -0.00   0.00  -0.00     0.81  -0.10   0.57

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.21772 721.620721173.27663
           X            0.99727  -0.07214   0.01583
           Y            0.07211   0.99739   0.00201
           Z           -0.01594  -0.00087   0.99987
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16428     0.12003     0.07382
 Rotational constants (GHZ):           3.42314     2.50096     1.53821
 Zero-point vibrational energy     296660.6 (Joules/Mol)
                                   70.90358 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     69.01   139.32   218.01   379.35   420.69
          (Kelvin)            449.56   500.01   600.85   771.18   881.34
                             1057.71  1096.42  1170.51  1292.79  1425.96
                             1479.52  1520.32  1661.82  1695.71  1748.90
                             1781.01  1846.74  1925.00  2008.62  2052.49
                             2071.27  2190.14  2419.62  2633.74  4336.27
                             4368.81  4440.25  5026.03  5059.60  5125.29
                             5496.29
 
 Zero-point correction=                           0.112992 (Hartree/Particle)
 Thermal correction to Energy=                    0.120893
 Thermal correction to Enthalpy=                  0.121838
 Thermal correction to Gibbs Free Energy=         0.080291
 Sum of electronic and zero-point Energies=           -399.037696
 Sum of electronic and thermal Energies=              -399.029794
 Sum of electronic and thermal Enthalpies=            -399.028850
 Sum of electronic and thermal Free Energies=         -399.070397
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.862             27.267             87.443
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.592
 Vibrational             74.084             21.306             19.986
 Vibration     1          0.595              1.978              4.899
 Vibration     2          0.603              1.951              3.517
 Vibration     3          0.619              1.901              2.653
 Vibration     4          0.670              1.740              1.637
 Vibration     5          0.688              1.688              1.460
 Vibration     6          0.701              1.650              1.349
 Vibration     7          0.725              1.580              1.177
 Vibration     8          0.781              1.432              0.900
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.117181D-36        -36.931141        -85.037096
 Total V=0       0.110038D+16         15.041545         34.634436
 Vib (Bot)       0.115787D-49        -49.936339       -114.982669
 Vib (Bot)    1  0.431053D+01          0.634531          1.461061
 Vib (Bot)    2  0.212068D+01          0.326474          0.751735
 Vib (Bot)    3  0.133763D+01          0.126335          0.290896
 Vib (Bot)    4  0.735346D+00         -0.133508         -0.307414
 Vib (Bot)    5  0.653175D+00         -0.184970         -0.425910
 Vib (Bot)    6  0.604309D+00         -0.218741         -0.503669
 Vib (Bot)    7  0.531747D+00         -0.274295         -0.631588
 Vib (Bot)    8  0.421229D+00         -0.375482         -0.864579
 Vib (Bot)    9  0.296705D+00         -0.527676         -1.215018
 Vib (Bot)   10  0.240610D+00         -0.618686         -1.424578
 Vib (V=0)       0.108729D+03          2.036347          4.688863
 Vib (V=0)    1  0.483943D+01          0.684794          1.576797
 Vib (V=0)    2  0.267882D+01          0.427944          0.985378
 Vib (V=0)    3  0.192802D+01          0.285112          0.656494
 Vib (V=0)    4  0.138923D+01          0.142775          0.328751
 Vib (V=0)    5  0.132258D+01          0.121422          0.279584
 Vib (V=0)    6  0.128434D+01          0.108680          0.250245
 Vib (V=0)    7  0.122990D+01          0.089870          0.206933
 Vib (V=0)    8  0.115378D+01          0.062125          0.143047
 Vib (V=0)    9  0.108141D+01          0.033989          0.078263
 Vib (V=0)   10  0.105488D+01          0.023204          0.053428
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.239164D+06          5.378695         12.384904
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        333             333                                       1    1    1 111 1 11111  11                                  
     8        554             000                                       8    6    5 443 3 22211  00 9  8 8 77   6  5   4 3322  1     
     2        619             831                                       3    8    2 429 3 83175  52 9  9 1 63   1  3   1 4196  5 9 4 
     0        273             664                                       1    2    2 076 8 48695  78 1  9 4 25   3  6   8 8224  2 7 8 
 
     X        XXX             XXX                                       X    X    X XXX X XXXXX  XX X  X X XX   X  X   X XXXX  X X X 
     X         X                                                        X            XX   X XX    X    X   X              XX       X 
     X         X                                                        X            X      XX    X    X   X               X         
               X                                                        X            X            X    X   X               X         
               X                                                        X            X            X    X                   X         
               X                                                        X            X            X    X                             
               X                                                        X            X                 X                             
               X                                                        X            X                 X                             
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                                                                                     
               X                                                                                                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015251    0.000001104    0.000009506
      2        6          -0.000001430    0.000022009   -0.000005280
      3        6           0.000028584   -0.000015838    0.000000386
      4        8          -0.000005131    0.000007491    0.000005994
      5        8           0.000017740   -0.000016905   -0.000010023
      6        7          -0.000011560   -0.000009771   -0.000002763
      7        8          -0.000008676    0.000004067   -0.000000953
      8        1           0.000009765   -0.000007526    0.000002065
      9        1          -0.000000072   -0.000002701   -0.000001350
     10        1           0.000002505   -0.000000890   -0.000001754
     11        1          -0.000011826    0.000012013   -0.000001744
     12        1          -0.000002259    0.000003945    0.000002929
     13        1          -0.000002064    0.000004448   -0.000000436
     14        1          -0.000000325   -0.000001446    0.000003424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028584 RMS     0.000009239
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.691941D+02 -0.218763D+01 -0.995624D+00
      2  -0.218763D+01  0.625422D+02  0.605376D+00
      3  -0.995624D+00  0.605376D+00  0.485528D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.375265D+01 -0.178641D+01 -0.165773D+02
      2   0.523757D+01  0.138989D+01  0.343608D+01
      3   0.991934D+01 -0.513646D+00  0.168483D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.248744D+01 -0.200082D+02  0.951630D+01
      2   0.577384D+00  0.320523D+02 -0.848392D+01
      3  -0.306483D+01 -0.120441D+02 -0.103239D+01
      4   0.149099D+02  0.230980D+01  0.763832D+01
      5   0.129685D+02  0.387776D+01  0.697154D+01
      6   0.714239D+01 -0.163365D+01  0.295114D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.264848D+01  0.990247D+00  0.159515D+01  0.768758D+00 -0.484600D+01
      2   0.990247D+00 -0.286543D+01  0.307408D+00 -0.484600D+01 -0.363096D+01
      3   0.159515D+01  0.307408D+00  0.150400D+01 -0.611983D-02  0.109164D+01
                 6             7             8             9            10 
      1  -0.611983D-02  0.260284D+01  0.106031D-01  0.934664D+00 -0.453380D+01
      2   0.109164D+01  0.106031D-01  0.199252D+01 -0.335850D+00  0.230507D+00
      3   0.542188D-01  0.934664D+00 -0.335850D+00 -0.705220D+01 -0.873812D+00
                11            12            13            14            15 
      1   0.230507D+00 -0.873812D+00 -0.150101D+01  0.319346D+01  0.272694D+00
      2   0.283304D+01  0.829536D-01  0.319346D+01  0.418848D+01 -0.410858D-01
      3   0.829536D-01 -0.191261D+01  0.272694D+00 -0.410858D-01  0.571433D+00
                16            17            18            19            20 
      1  -0.124757D+01  0.831006D-01 -0.190787D+01  0.818312D+01  0.412740D+00
      2   0.831006D-01 -0.879519D+00 -0.208990D-01  0.412740D+00 -0.140978D+01
      3  -0.190787D+01 -0.208990D-01  0.683881D+01 -0.146376D+01 -0.502625D+00
                21            22            23            24            25 
      1  -0.146376D+01  0.227149D+00 -0.324745D+01 -0.338309D+00 -0.215092D+01
      2  -0.502625D+00 -0.324745D+01 -0.191228D+01  0.373777D+00 -0.447120D+00
      3   0.100559D+01 -0.338309D+00  0.373777D+00 -0.456774D+00  0.836558D+00
                26            27            28            29            30 
      1  -0.447120D+00  0.836558D+00 -0.500615D+01 -0.291114D+01  0.339975D+00
      2   0.211737D+00 -0.417616D+00 -0.291114D+01 -0.451487D+00 -0.121057D+00
      3  -0.417616D+00 -0.124875D+01  0.339975D+00 -0.121057D+00  0.795070D-01
                31            32            33            34            35 
      1  -0.131091D+01  0.193118D+01 -0.909166D-01  0.967905D+00  0.240095D-01
      2   0.193118D+01 -0.844596D+01 -0.599422D+00  0.240095D-01  0.239340D+00
      3  -0.909166D-01 -0.599422D+00 -0.113538D+01  0.516724D+00 -0.191738D+01
                36            37            38            39            40 
      1   0.516724D+00 -0.272027D+01 -0.101319D+01 -0.288814D+01 -0.178343D+01
      2  -0.191738D+01 -0.101319D+01 -0.489431D-01  0.420797D+00  0.197654D+01
      3  -0.270644D+00 -0.288814D+01  0.420797D+00 -0.951252D+00  0.352283D+00
                41            42            43            44            45 
      1   0.197654D+01  0.352283D+00 -0.554126D+01  0.132727D+01 -0.391578D+00
      2  -0.222997D+01 -0.910982D+00  0.132727D+01 -0.161178D+01 -0.588327D+00
      3  -0.910982D+00 -0.153325D-01 -0.391578D+00 -0.588327D+00 -0.162354D+01
                46            47            48            49            50 
      1   0.359222D+01 -0.763040D+00  0.101047D+01  0.856231D-01 -0.170222D+01
      2  -0.763040D+00  0.228865D+00 -0.247990D+00 -0.170222D+01  0.466823D+01
      3   0.101047D+01 -0.247990D+00  0.382021D+01 -0.638367D+00  0.886016D-01
                51            52            53            54            55 
      1  -0.638367D+00  0.157951D+01 -0.633573D+00  0.369912D+01 -0.147805D+02
      2   0.886016D-01 -0.633573D+00 -0.171349D+00  0.349850D+00 -0.930295D+00
      3   0.428004D+00  0.369912D+01  0.349850D+00 -0.182100D+01  0.178785D+01
                56            57            58            59            60 
      1  -0.930295D+00  0.178785D+01 -0.113987D+01 -0.221425D+01  0.275064D+00
      2  -0.335555D+01  0.229424D+00 -0.221425D+01 -0.129197D+00  0.471170D+00
      3   0.229424D+00 -0.251552D+01  0.275064D+00  0.471170D+00  0.123167D+00
                61            62            63            64            65 
      1   0.256797D+01  0.442213D+00 -0.353691D+01  0.174254D+01  0.324048D+00
      2   0.442213D+00  0.102003D+01 -0.222760D+00  0.324048D+00 -0.296633D+00
      3  -0.353691D+01 -0.222760D+00  0.217960D+01 -0.107180D+01 -0.493054D-01
                66            67            68            69            70 
      1  -0.107180D+01  0.143210D+00 -0.365899D+00 -0.573530D-01 -0.175175D+01
      2  -0.493054D-01 -0.365899D+00  0.350868D-01 -0.117917D+01 -0.902364D-02
      3   0.147673D+01 -0.573530D-01 -0.117917D+01 -0.489649D-01  0.117182D+01
                71            72            73            74            75 
      1  -0.902364D-02  0.117182D+01  0.231166D+01  0.205950D+01 -0.531104D+00
      2  -0.161434D+01  0.505669D+00  0.205950D+01  0.256907D+01 -0.157704D+00
      3   0.505669D+00 -0.851632D+01 -0.531104D+00 -0.157704D+00  0.409063D+00
                76            77            78            79            80 
      1   0.311178D+01  0.322555D+01 -0.140981D-01 -0.117034D+01 -0.379866D+00
      2   0.322555D+01  0.735030D+01 -0.480539D+00 -0.379866D+00 -0.135344D+01
      3  -0.140981D-01 -0.480539D+00  0.923069D+00  0.587866D+00  0.118733D+01
                81            82            83            84            85 
      1   0.587866D+00 -0.643628D+00  0.140905D+00  0.950434D+00 -0.234462D+00
      2   0.118733D+01  0.140905D+00  0.212824D+00 -0.222801D+00  0.442979D+00
      3   0.225885D+00  0.950434D+00 -0.222801D+00 -0.113088D+01 -0.552137D-01
                86            87            88            89            90 
      1   0.442979D+00 -0.552137D-01  0.167780D+01 -0.233242D+00  0.401033D+00
      2   0.379746D+00  0.103374D+01 -0.233242D+00  0.117576D+01  0.689327D+00
      3   0.103374D+01 -0.204131D+00  0.401033D+00  0.689327D+00  0.863873D+01
                91            92            93            94            95 
      1   0.710247D+01  0.689755D+00 -0.201809D+00  0.993637D+00  0.122278D+01
      2   0.689755D+00  0.293596D+01  0.253554D+00  0.122278D+01 -0.906566D+00
      3  -0.201809D+00  0.253554D+00  0.661403D+00  0.150835D+00 -0.105204D+00
                96            97            98            99           100 
      1   0.150835D+00 -0.826734D+00  0.177709D+00  0.458838D+00 -0.206217D+01
      2  -0.105204D+00  0.177709D+00 -0.357517D+00 -0.614811D+00  0.802381D+00
      3  -0.519797D+00  0.458838D+00 -0.614811D+00 -0.441767D+00  0.148928D+01
               101           102           103           104           105 
      1   0.802381D+00  0.148928D+01  0.438932D+00 -0.115361D+00 -0.150079D+00
      2  -0.789313D+00 -0.467324D+00 -0.115361D+00  0.398489D+00  0.322343D+00
      3  -0.467324D+00 -0.205749D+01 -0.150079D+00  0.322343D+00 -0.151426D+00
               106           107           108           109           110 
      1   0.245926D+01 -0.607710D+00 -0.234901D+01 -0.458216D+01  0.190346D+01
      2  -0.607710D+00  0.167968D+01  0.842772D+00  0.190346D+01 -0.113665D+01
      3  -0.234901D+01  0.842772D+00  0.461821D+01 -0.223197D+01  0.863981D+00
               111           112           113           114           115 
      1  -0.223197D+01  0.167743D+01 -0.676742D+00  0.685831D+00 -0.351515D+01
      2   0.863981D+00 -0.676742D+00  0.134091D+01 -0.461299D+00  0.117992D+01
      3  -0.215732D+01  0.685831D+00 -0.461299D+00  0.745898D+00 -0.263186D+01
               116           117           118           119           120 
      1   0.117992D+01 -0.263186D+01  0.874814D+01 -0.193587D+01  0.208925D+01
      2  -0.134706D+01  0.106894D+01 -0.193587D+01  0.157403D+01 -0.389308D+00
      3   0.106894D+01 -0.289216D+01  0.208925D+01 -0.389308D+00  0.176857D+01
               121           122           123           124           125 
      1  -0.147683D+01  0.117544D+01 -0.386251D+00  0.434845D+01 -0.934290D+00
      2   0.117544D+01 -0.110628D+01  0.396429D+00 -0.934290D+00  0.101593D+01
      3  -0.386251D+00  0.396429D+00 -0.313983D+00  0.221060D+01 -0.526256D+00
               126 
      1   0.221060D+01
      2  -0.526256D+00
      3   0.136516D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.243183D+01 -0.315799D+01 -0.309319D+01 -0.385975D+01 -0.293667D+01
      2   0.470281D+01  0.450372D+00  0.266955D+01 -0.946334D+00  0.353307D+01
      3   0.311769D+01  0.578089D+01  0.106584D+01  0.810659D+01 -0.376057D+01
                 6             7             8             9            10 
      1  -0.171223D+00 -0.172063D+01  0.299391D+01  0.780952D+01  0.245763D+01
      2   0.125129D+01 -0.236207D+01 -0.770919D+00 -0.756724D+01 -0.155527D+01
      3  -0.730572D+00  0.270011D+01 -0.253464D+01  0.180906D+01 -0.120314D+01
                11            12            13            14            15 
      1  -0.148539D+01 -0.654765D-01 -0.213820D+01 -0.252640D+01 -0.275935D+01
      2  -0.262415D+00  0.150052D+01  0.380776D-02  0.501988D+00  0.166429D+01
      3  -0.462871D+01 -0.856540D+00  0.901734D+00  0.202586D+01  0.915419D+00
                16            17            18            19            20 
      1   0.159157D+01  0.466700D+01 -0.284369D+01 -0.206891D+01  0.793526D+01
      2  -0.463481D+01 -0.597316D+00  0.376872D-01 -0.260653D+01 -0.168414D+01
      3  -0.162480D+01  0.745236D+00 -0.146831D+01 -0.543156D+01  0.260477D+01
                21            22            23            24            25 
      1   0.170716D+00  0.320401D+01  0.472634D+01  0.578535D+01  0.308863D+01
      2  -0.954589D+01 -0.173248D+01 -0.760185D+00  0.311747D+00 -0.120622D+02
      3   0.133545D+01  0.279877D+01  0.805599D+00 -0.198698D+01  0.232771D+01
                26            27            28            29            30 
      1   0.168856D+02 -0.132832D+01  0.135631D+01 -0.178265D+01 -0.214589D+00
      2  -0.402169D+01  0.508986D+01 -0.208984D+01 -0.217361D+00  0.359602D+01
      3  -0.573176D+01 -0.662167D+00  0.165331D+02  0.252424D+01 -0.826546D+00
                31            32            33            34            35 
      1   0.274016D+00  0.107635D+01 -0.780141D+01 -0.765620D+00 -0.392089D+01
      2  -0.511539D+00  0.900444D-01 -0.187796D+01 -0.208390D+01  0.256707D+01
      3   0.121685D+02 -0.166759D+01 -0.102883D+00 -0.306361D+01  0.913185D+00
                36            37            38            39            40 
      1   0.293079D+00 -0.283003D+01  0.633738D+00  0.107998D+01  0.152323D+01
      2  -0.407249D+00 -0.898352D+01  0.282125D+01  0.117267D+01  0.250660D+01
      3  -0.148680D+01  0.610981D+01 -0.779732D+01  0.881916D-01  0.395759D+00
                41            42            43            44            45 
      1  -0.116867D+01 -0.430849D+01 -0.142624D+01  0.332083D+01 -0.217952D+01
      2  -0.279665D+01 -0.119416D+01 -0.619843D+01  0.344857D-01 -0.588651D+01
      3   0.774920D+01  0.194753D+01 -0.153979D+00  0.525774D+01  0.165172D+01
                46            47            48            49            50 
      1  -0.249468D+01  0.132880D+01 -0.861902D+01  0.258649D+01 -0.172270D+01
      2  -0.146412D+01  0.157493D+01 -0.388654D+00  0.838171D+00 -0.104233D+01
      3   0.960348D+01 -0.519922D+01  0.154967D+01  0.508158D+01 -0.510123D-01
                51            52            53            54            55 
      1  -0.581613D+01 -0.103573D+02  0.276138D+01  0.321302D+01  0.264340D+01
      2  -0.866238D+00 -0.693231D+01  0.285562D+01  0.974898D+00 -0.977620D+00
      3  -0.149021D+01  0.255147D+01 -0.236274D+01  0.985623D+01  0.968614D+01
                56            57            58            59            60 
      1  -0.346502D+01 -0.210329D+01 -0.730740D+00 -0.180510D+00 -0.391324D+01
      2  -0.168927D+00  0.128407D+02  0.100421D+01 -0.494999D+00  0.156407D+01
      3  -0.139142D+02 -0.111444D+01  0.666575D+00  0.106713D+01  0.845082D+00
                61            62            63            64            65 
      1  -0.410208D+01 -0.498540D+00  0.216553D+01  0.544915D+00  0.338442D-02
      2   0.165901D+01  0.180036D+01 -0.429474D+01  0.133045D+01  0.330175D+00
      3  -0.100718D+01  0.437735D+01  0.293906D+01  0.134870D+01 -0.536814D+00
                66            67            68            69            70 
      1  -0.760060D+00  0.486275D+00  0.732456D+00 -0.877084D-01 -0.126107D+01
      2   0.659687D+00 -0.328951D+00 -0.186265D+00 -0.116472D+00 -0.266595D+01
      3  -0.605435D+00  0.142447D+01 -0.395950D+00 -0.275932D+00 -0.923432D+00
                71            72            73            74            75 
      1   0.224480D+01  0.511706D+01  0.156662D+01  0.132041D+01 -0.111012D+01
      2   0.448990D+00 -0.997186D-01 -0.104291D+01 -0.101653D+01  0.176568D+01
      3   0.618300D+00  0.389513D+00  0.224214D+00 -0.265550D+01 -0.416273D+00
                76            77            78            79            80 
      1   0.100216D+01  0.311348D+01 -0.350438D+01 -0.510641D+00 -0.112917D+01
      2  -0.575975D+00 -0.141539D+01  0.211033D+01  0.546681D-01  0.146408D+01
      3   0.304564D+01 -0.737184D+01  0.806984D+00 -0.173166D+01  0.161333D+01
                81            82            83            84            85 
      1   0.272269D+00 -0.840654D+00 -0.676418D-01  0.812442D+00  0.249349D+00
      2  -0.219972D+00  0.210379D+01 -0.511167D+00 -0.948253D+00  0.199361D+00
      3  -0.830787D+00 -0.140652D+01 -0.796656D+00  0.928390D+00  0.304782D+00
                86            87            88            89            90 
      1  -0.784981D+00  0.300731D+00 -0.373648D+00  0.305148D+01 -0.816081D+01
      2   0.111316D+01 -0.202642D+00 -0.397893D+01  0.141406D+01  0.109951D+02
      3   0.365928D+00 -0.117209D+01  0.180047D+01 -0.164470D+01 -0.100723D+01
                91            92            93            94            95 
      1  -0.123576D+01 -0.204754D+00  0.235819D+01  0.160146D-01 -0.605298D-01
      2   0.317584D+01  0.956535D+00 -0.972835D+00  0.851553D+00  0.255326D+00
      3  -0.228182D+02 -0.295997D+01  0.382495D+00 -0.368591D+01 -0.731953D+00
                96            97            98            99           100 
      1   0.191220D+00  0.166297D+01  0.783941D+00 -0.442284D+00 -0.349996D+01
      2  -0.110110D+01 -0.240900D+01 -0.367185D+00 -0.328018D+00 -0.810806D+00
      3  -0.278234D+00  0.182501D+01 -0.383858D+00 -0.558108D+00 -0.409605D+01
               101           102           103           104           105 
      1   0.233843D+00  0.521747D+01  0.175402D+00 -0.146174D+01  0.311471D-01
      2   0.822753D+00  0.299793D+01  0.687997D+00  0.229576D+00  0.545180D-01
      3  -0.719850D+00  0.317312D+01  0.477894D+00 -0.778513D+00  0.251830D-01
               106           107           108           109           110 
      1   0.610692D+01  0.271925D+00 -0.102818D+02  0.471185D+01 -0.116561D+01
      2   0.721182D+00 -0.123462D+01 -0.464319D+01  0.937039D+00 -0.104136D+01
      3   0.551507D+01  0.791119D+00 -0.522076D+01 -0.909017D+01  0.101557D+01
               111           112           113           114           115 
      1   0.512639D+01 -0.182377D+01  0.736797D+00 -0.153197D+01  0.561336D+01
      2   0.300714D+01 -0.628076D+00  0.685768D-01 -0.697400D+00  0.928993D+00
      3  -0.441113D+01  0.341916D+01 -0.551764D+00  0.150106D+01 -0.726511D+01
               116           117           118           119           120 
      1  -0.536041D+00  0.583889D+01  0.212111D+01 -0.126377D+00  0.120056D+01
      2  -0.989394D+00  0.268274D+01  0.678344D+01 -0.175139D+01  0.592215D+01
      3   0.855049D+00 -0.532194D+01 -0.148399D+01 -0.398753D+01 -0.595105D+00
               121           122           123           124           125 
      1  -0.467226D+00  0.154033D+00 -0.690958D+00  0.136027D+01  0.374062D+00
      2  -0.136834D+01  0.904074D+00 -0.900265D+00  0.536573D+01 -0.151086D+01
      3  -0.507441D+00  0.220278D+01 -0.501672D+00 -0.950062D+00 -0.251361D+01
               126 
      1   0.829370D+00
      2   0.416366D+01
      3  -0.894842D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.183945D+01  0.118333D+01  0.937750D+00  0.119751D+02 -0.510880D+01
      2  -0.250001D+01 -0.288722D+01 -0.343373D+01 -0.150852D+02 -0.105346D+02
      3   0.433946D+01  0.170389D+01  0.249598D+01  0.311017D+01  0.156434D+02
      4   0.380417D+01 -0.110960D+02  0.447185D+01 -0.172588D+02 -0.191549D+02
      5   0.800926D+01  0.911929D+00  0.131613D+01 -0.305449D+01  0.279822D+01
      6   0.386022D+01  0.137277D+01  0.521486D+01  0.257594D+00 -0.222692D-01
                 6             7             8             9            10 
      1  -0.824652D+00  0.592583D+01  0.400448D+00  0.123378D+02 -0.409612D+01
      2   0.399955D+01 -0.280140D+01  0.199156D+01  0.643662D+01  0.616853D+01
      3  -0.317490D+01 -0.312443D+01 -0.239201D+01 -0.187744D+02 -0.207241D+01
      4   0.319389D+01  0.202802D+01  0.522627D+01 -0.350763D-01  0.334713D+00
      5   0.357137D+01  0.262716D+01  0.247476D+00 -0.130308D+02 -0.288453D+01
      6  -0.147475D+01  0.244239D+01  0.888643D+00 -0.896140D+01 -0.305801D+01
                11            12            13            14            15 
      1  -0.373483D+01 -0.336185D+01  0.678790D+00  0.201084D+01  0.677558D+00
      2   0.805834D+01  0.660519D+00  0.270282D+01 -0.180358D+01  0.532933D+00
      3  -0.432351D+01  0.270133D+01 -0.338161D+01 -0.207267D+00 -0.121049D+01
      4   0.138715D+00 -0.281271D+01 -0.904240D+00  0.403333D+01 -0.216142D+00
      5  -0.935635D+00 -0.163896D+01  0.487453D+00  0.734705D+00  0.270228D+01
      6  -0.453308D+00 -0.859794D+00  0.421997D+00  0.147194D+01 -0.359457D+00
                16            17            18            19            20 
      1  -0.541990D+01 -0.404199D+00  0.908258D+01 -0.334572D+02 -0.971371D+01
      2  -0.582547D+00 -0.286656D+01  0.802868D+01  0.187714D+02  0.894329D+01
      3   0.600245D+01  0.327076D+01 -0.171113D+02  0.146857D+02  0.770420D+00
      4  -0.304383D+01 -0.133676D+01 -0.363599D+01 -0.118306D+02 -0.149803D+02
      5  -0.141720D+00 -0.168807D+01  0.533180D+01  0.631709D+01  0.580060D+00
      6  -0.427738D+01  0.402222D+00  0.814494D+01  0.291023D+01  0.251447D+01
                21            22            23            24            25 
      1   0.444149D+00 -0.204986D+01  0.105399D+02  0.648879D+00  0.891625D+01
      2  -0.481115D+01  0.344038D+01 -0.149137D+02 -0.175034D+01 -0.600962D+01
      3   0.436700D+01 -0.139052D+01  0.437389D+01  0.110146D+01 -0.290663D+01
      4   0.271050D+01 -0.184147D+01  0.859619D+01 -0.145962D+01  0.496018D+01
      5  -0.142265D+02 -0.800714D+00 -0.183053D+01  0.211494D+01  0.152164D+01
      6   0.190512D+01 -0.160889D+01 -0.393825D+01 -0.708248D+01 -0.164385D+01
                26            27            28            29            30 
      1  -0.280963D+00 -0.746967D+01 -0.227134D+01 -0.120595D+01 -0.100939D+01
      2  -0.122918D+01 -0.329852D+01  0.720942D+01  0.110562D+00  0.108255D+01
      3   0.151014D+01  0.107682D+02 -0.493808D+01  0.109539D+01 -0.731627D-01
      4   0.556539D+01 -0.864130D+00  0.582410D+01  0.162574D+02 -0.845066D+00
      5  -0.123590D+01  0.718698D+01 -0.660136D+00  0.775511D-02  0.640983D+01
      6   0.176585D+01  0.157908D+01 -0.188738D+01 -0.417644D+00 -0.136367D+01
                31            32            33            34            35 
      1  -0.218824D+00 -0.280207D+02 -0.209147D+01  0.814485D-01  0.179489D+00
      2  -0.282125D+01  0.404471D+02  0.166224D+01  0.847922D+00  0.325658D+00
      3   0.304007D+01 -0.124264D+02  0.429224D+00 -0.929371D+00 -0.505146D+00
      4   0.108204D+02 -0.127802D+01  0.127959D+01 -0.166602D+01 -0.805451D+00
      5   0.663410D+00  0.168482D+01 -0.205115D+01  0.352839D+01  0.147506D+01
      6   0.101960D+01  0.478715D+01  0.144451D+02 -0.213507D+01  0.131838D+02
                36            37            38            39            40 
      1  -0.872041D+01 -0.593500D+01  0.594979D+00 -0.136020D+02 -0.766977D+01
      2   0.509314D+01  0.258995D+01 -0.245077D+01  0.927074D+01  0.553914D+01
      3   0.362728D+01  0.334505D+01  0.185579D+01  0.433131D+01  0.213063D+01
      4   0.545722D+00  0.761036D+00  0.632844D+01  0.293596D+01  0.947614D+01
      5   0.222213D+00 -0.184903D+02  0.339010D+01  0.279267D+01  0.373143D+01
      6   0.150962D+01  0.258455D+01 -0.123156D+01 -0.120703D+01 -0.121735D+01
                41            42            43            44            45 
      1  -0.907695D-01  0.115652D+01 -0.267372D+02  0.489006D+01 -0.567108D+01
      2   0.725174D+01 -0.166841D+01  0.162489D+02 -0.128497D+01 -0.165659D+01
      3  -0.716097D+01  0.511890D+00  0.104884D+02 -0.360509D+01  0.732766D+01
      4  -0.685322D+01 -0.386574D+01  0.681610D+01 -0.567762D+01 -0.102905D+01
      5  -0.472091D+01 -0.282960D+01  0.125603D+01 -0.270260D+01 -0.113817D+02
      6   0.821108D+00  0.582914D+01  0.102130D+01  0.370191D+01  0.274566D+01
                46            47            48            49            50 
      1  -0.251881D+01  0.473003D+01 -0.954533D+00  0.141740D+01 -0.136530D+02
      2   0.328466D+01 -0.671323D+01 -0.158666D+01 -0.509867D+01  0.272398D+02
      3  -0.765849D+00  0.198319D+01  0.254120D+01  0.368127D+01 -0.135869D+02
      4   0.145401D+02  0.922411D+00  0.354230D+01  0.898368D+01 -0.148052D+02
      5  -0.415782D+01  0.234616D+01 -0.764096D+01  0.115451D+01 -0.972855D+00
      6   0.471309D+01 -0.200940D+01  0.144893D+02 -0.311012D+01  0.863913D-02
                51            52            53            54            55 
      1   0.103883D+01  0.208222D+00  0.940854D+00 -0.107374D+02  0.675420D+02
      2   0.746688D+00 -0.256817D+01  0.885402D+00  0.795696D+01 -0.402964D+02
      3  -0.178552D+01  0.235995D+01 -0.182626D+01  0.278043D+01 -0.272456D+02
      4  -0.251148D+01  0.447625D+01 -0.193671D+01  0.133431D+02  0.225005D+02
      5  -0.226972D+01 -0.787541D+01  0.347864D+01  0.228308D+01 -0.899819D+01
      6   0.702748D+01  0.157772D+02  0.565514D+01 -0.477857D+01 -0.250852D+01
                56            57            58            59            60 
      1   0.381788D+01 -0.400942D+01  0.252431D+01  0.327620D+01  0.556658D+00
      2   0.139311D+01  0.600308D+01  0.818111D+00  0.271979D+01 -0.149107D+00
      3  -0.521098D+01 -0.199366D+01 -0.334242D+01 -0.599599D+01 -0.407551D+00
      4   0.204809D+02 -0.221798D+01  0.161793D+02  0.591558D+01 -0.206118D+01
      5  -0.762107D+00  0.214775D+02 -0.157024D+00 -0.169667D+01  0.165775D+01
      6  -0.906251D+00  0.346610D+01 -0.143838D+01 -0.936388D+00  0.573857D+01
                61            62            63            64            65 
      1  -0.686288D+01  0.598407D+00  0.801961D+01 -0.282698D+00  0.304099D+00
      2   0.695901D+01 -0.197014D+00 -0.105944D+02 -0.405501D+01 -0.331204D+00
      3  -0.961292D-01 -0.401393D+00  0.257479D+01  0.433771D+01  0.271056D-01
      4  -0.274533D+01 -0.423143D+01  0.552168D+01  0.125420D+01  0.210935D+01
      5   0.197236D+02  0.220514D+01 -0.104874D+02 -0.171196D+01  0.178940D+00
      6   0.662641D+01  0.591464D+01 -0.378884D+01 -0.113881D+01 -0.102927D+01
                66            67            68            69            70 
      1   0.161670D+01  0.290148D-01 -0.316669D+01  0.673662D+00  0.167292D+01
      2   0.183340D+01  0.493936D+00  0.649622D+00 -0.242071D+01  0.316625D+01
      3  -0.345010D+01 -0.522950D+00  0.251707D+01  0.174705D+01 -0.483917D+01
      4  -0.948838D+00  0.224778D+01  0.615808D+00 -0.364182D+00 -0.134782D+01
      5   0.719026D+01  0.168892D+00 -0.120007D+01 -0.257538D+00  0.452481D+01
      6   0.154253D+01 -0.106453D+01 -0.165009D+01  0.577055D+01  0.205937D+01
                71            72            73            74            75 
      1   0.269572D+01 -0.179232D+02  0.740694D+01  0.403619D+01 -0.139195D+01
      2  -0.122909D+01 -0.150552D+02  0.135155D+01  0.378913D+01  0.131399D-02
      3  -0.146664D+01  0.329784D+02 -0.875850D+01 -0.782532D+01  0.139064D+01
      4   0.846424D+00  0.135899D+01  0.134011D+02  0.159718D+02 -0.149860D+01
      5   0.607097D+00 -0.503748D+01 -0.800078D+00  0.256474D-02  0.257801D+01
      6   0.525613D+01 -0.107121D+02 -0.616575D+00  0.200764D+00  0.156979D+01
                76            77            78            79            80 
      1   0.350736D+01 -0.622557D+01  0.379425D+00 -0.263257D+01  0.358409D+00
      2   0.647741D+01  0.242879D+02 -0.231099D+01  0.387784D+00 -0.307598D+01
      3  -0.998477D+01 -0.180624D+02  0.193156D+01  0.224479D+01  0.271758D+01
      4   0.192445D+02  0.320370D+02 -0.195145D+01 -0.327122D+01 -0.503926D+01
      5   0.725822D+00 -0.558525D+00  0.344826D+01  0.335644D+01  0.449993D+01
      6   0.974017D+00  0.839381D+00  0.460866D+01  0.260283D+01  0.546582D+01
                81            82            83            84            85 
      1  -0.227399D+01 -0.176860D+01  0.752170D+00  0.492049D+01 -0.179097D+01
      2   0.135978D+01 -0.124623D+01  0.630563D+00 -0.104307D+01  0.208279D+01
      3   0.914212D+00  0.301483D+01 -0.138273D+01 -0.387742D+01 -0.291821D+00
      4   0.518884D+01 -0.245254D-01  0.269627D+01  0.714352D+00  0.279059D+01
      5  -0.422645D+00  0.113781D+01  0.782800D-01  0.353116D+01  0.935154D-02
      6  -0.755081D+00  0.952567D+00 -0.107474D+01 -0.199957D+01  0.260095D+00
                86            87            88            89            90 
      1  -0.221060D+01 -0.116246D+01  0.470664D+01 -0.330561D+01 -0.189635D+02
      2   0.486478D+00  0.189941D+01 -0.314716D+01  0.164557D+01 -0.143581D+02
      3   0.172413D+01 -0.736952D+00 -0.155948D+01  0.166003D+01  0.333216D+02
      4   0.196160D+01  0.223383D+01  0.147877D+01  0.244993D+01  0.262971D+01
      5   0.202611D+01 -0.989603D+00  0.563791D+01  0.161494D+01  0.190979D+02
      6   0.145587D+01  0.536390D+01  0.345259D+00  0.529095D+01  0.117205D+02
                91            92            93            94            95 
      1   0.408925D+01  0.102219D+02  0.168360D+01  0.226353D+01  0.525251D+00
      2  -0.381831D+01 -0.125106D+02 -0.970873D+00 -0.411298D+01  0.118395D+01
      3  -0.270947D+00  0.228872D+01 -0.712723D+00  0.184946D+01 -0.170920D+01
      4  -0.126997D+02 -0.793405D+00  0.140503D+01  0.875654D+00 -0.540558D+01
      5   0.651662D+00  0.600857D+00 -0.158038D+01  0.719429D+00 -0.490646D-01
      6   0.229170D+01 -0.112222D+01 -0.371453D+01 -0.329924D+00  0.360234D+00
                96            97            98            99           100 
      1   0.302176D+00 -0.375818D-01 -0.691395D+00 -0.139622D+01  0.578871D+01
      2   0.499522D-01  0.779361D-02  0.713172D+00 -0.333573D-01 -0.280129D+01
      3  -0.352128D+00  0.297882D-01 -0.217765D-01  0.142958D+01 -0.298742D+01
      4  -0.408582D+00  0.183500D+01 -0.183278D+00 -0.152398D+01 -0.944511D+01
      5  -0.206150D+01  0.132545D+01 -0.583598D+00 -0.934605D+00 -0.565123D+01
      6   0.594279D+00 -0.190761D+01  0.254261D+01  0.108902D+01  0.542698D+01
               101           102           103           104           105 
      1  -0.139587D+01 -0.271634D+01 -0.141279D+01 -0.162975D+01  0.996504D-02
      2  -0.328091D+00  0.216586D+01  0.901068D+00  0.259075D+01  0.143543D+01
      3   0.172396D+01  0.550477D+00  0.511726D+00 -0.961000D+00 -0.144539D+01
      4   0.618244D+01  0.559704D+01  0.236655D+01 -0.400948D-01 -0.168044D+01
      5   0.176297D+01  0.829540D+01  0.337024D+00 -0.119332D+01 -0.196796D+00
      6  -0.201563D+01 -0.846325D+01 -0.127201D+01  0.820259D+00  0.164604D+01
               106           107           108           109           110 
      1  -0.321016D+01 -0.248383D+01  0.223054D+00  0.110366D+02 -0.291949D+01
      2   0.355367D+01  0.361836D+01 -0.556813D+01 -0.341066D+01 -0.101533D+01
      3  -0.343505D+00 -0.113453D+01  0.534508D+01 -0.762590D+01  0.393481D+01
      4   0.800344D+01 -0.454656D+01 -0.828282D+01 -0.197626D+02  0.112333D+02
      5   0.824738D+01 -0.271316D+01 -0.129251D+02  0.109636D+02 -0.436315D+01
      6  -0.905944D+01  0.424756D+01  0.165358D+02 -0.100764D+02  0.485549D+01
               111           112           113           114           115 
      1   0.427648D+01 -0.154428D+01 -0.262352D+01 -0.301382D+00  0.317147D+01
      2  -0.179957D+01 -0.124042D+01  0.525953D+01 -0.168966D+01 -0.212727D+01
      3  -0.247691D+01  0.278470D+01 -0.263600D+01  0.199104D+01 -0.104420D+01
      4  -0.936611D+01  0.784863D+01 -0.355691D+01  0.418515D+01 -0.120479D+02
      5   0.987593D+01 -0.186517D+01  0.227490D+01 -0.129945D+01  0.107322D+02
      6  -0.917162D+01  0.441811D+01 -0.249144D+01  0.453326D+01 -0.113667D+02
               116           117           118           119           120 
      1   0.121440D+01  0.133165D+01  0.485645D+02 -0.958752D+01  0.118389D+02
      2  -0.250460D+01 -0.336787D+01 -0.273770D+02  0.476984D+01 -0.670866D+01
      3   0.129020D+01  0.203623D+01 -0.211875D+02  0.481768D+01 -0.513020D+01
      4   0.577811D+01 -0.102755D+02 -0.108451D+02  0.709093D+01 -0.308235D+01
      5  -0.427909D+01  0.102475D+02  0.152792D+02 -0.319336D+01  0.101728D+02
      6   0.640077D+01 -0.118284D+02 -0.345361D+01  0.131653D+01 -0.140820D+01
               121           122           123           124           125 
      1  -0.625056D+01  0.468236D+01 -0.146729D+01  0.208813D+02 -0.451538D+01
      2   0.298607D+01 -0.147524D+01  0.470171D+00 -0.132714D+02  0.280409D+01
      3   0.326449D+01 -0.320711D+01  0.997122D+00 -0.760992D+01  0.171129D+01
      4   0.836534D+01 -0.425315D+01  0.263073D+01 -0.547562D+01  0.389094D+01
      5  -0.211993D+01  0.270319D+01 -0.153924D+01  0.147302D+02 -0.311350D+01
      6   0.169415D+01 -0.920763D+00  0.191251D+01 -0.267235D+01  0.182611D+01
               126 
      1   0.979216D+01
      2  -0.731156D+01
      3  -0.248059D+01
      4  -0.294155D+01
      5   0.885459D+01
      6  -0.189487D+01
 Leave Link  716 at Thu Aug 12 20:28:52 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.691941D+02 -0.218763D+01 -0.995624D+00
      2  -0.218763D+01  0.625422D+02  0.605376D+00
      3  -0.995624D+00  0.605376D+00  0.485528D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.375265D+01 -0.178641D+01 -0.165773D+02
      2   0.523757D+01  0.138989D+01  0.343608D+01
      3   0.991934D+01 -0.513646D+00  0.168483D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.248744D+01 -0.200082D+02  0.951630D+01
      2   0.577384D+00  0.320523D+02 -0.848392D+01
      3  -0.306483D+01 -0.120441D+02 -0.103239D+01
      4   0.149099D+02  0.230980D+01  0.763832D+01
      5   0.129685D+02  0.387776D+01  0.697154D+01
      6   0.714239D+01 -0.163365D+01  0.295114D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.264848D+01  0.990247D+00  0.159515D+01  0.768758D+00 -0.484600D+01
      2   0.990247D+00 -0.286543D+01  0.307408D+00 -0.484600D+01 -0.363096D+01
      3   0.159515D+01  0.307408D+00  0.150400D+01 -0.611983D-02  0.109164D+01
                 6             7             8             9            10 
      1  -0.611983D-02  0.260284D+01  0.106031D-01  0.934664D+00 -0.453380D+01
      2   0.109164D+01  0.106031D-01  0.199252D+01 -0.335850D+00  0.230507D+00
      3   0.542188D-01  0.934664D+00 -0.335850D+00 -0.705220D+01 -0.873812D+00
                11            12            13            14            15 
      1   0.230507D+00 -0.873812D+00 -0.150101D+01  0.319346D+01  0.272694D+00
      2   0.283304D+01  0.829536D-01  0.319346D+01  0.418848D+01 -0.410858D-01
      3   0.829536D-01 -0.191261D+01  0.272694D+00 -0.410858D-01  0.571433D+00
                16            17            18            19            20 
      1  -0.124757D+01  0.831006D-01 -0.190787D+01  0.818312D+01  0.412740D+00
      2   0.831006D-01 -0.879519D+00 -0.208990D-01  0.412740D+00 -0.140978D+01
      3  -0.190787D+01 -0.208990D-01  0.683881D+01 -0.146376D+01 -0.502625D+00
                21            22            23            24            25 
      1  -0.146376D+01  0.227149D+00 -0.324745D+01 -0.338309D+00 -0.215092D+01
      2  -0.502625D+00 -0.324745D+01 -0.191228D+01  0.373777D+00 -0.447120D+00
      3   0.100559D+01 -0.338309D+00  0.373777D+00 -0.456774D+00  0.836558D+00
                26            27            28            29            30 
      1  -0.447120D+00  0.836558D+00 -0.500615D+01 -0.291114D+01  0.339975D+00
      2   0.211737D+00 -0.417616D+00 -0.291114D+01 -0.451487D+00 -0.121057D+00
      3  -0.417616D+00 -0.124875D+01  0.339975D+00 -0.121057D+00  0.795070D-01
                31            32            33            34            35 
      1  -0.131091D+01  0.193118D+01 -0.909166D-01  0.967905D+00  0.240095D-01
      2   0.193118D+01 -0.844596D+01 -0.599422D+00  0.240095D-01  0.239340D+00
      3  -0.909166D-01 -0.599422D+00 -0.113538D+01  0.516724D+00 -0.191738D+01
                36            37            38            39            40 
      1   0.516724D+00 -0.272027D+01 -0.101319D+01 -0.288814D+01 -0.178343D+01
      2  -0.191738D+01 -0.101319D+01 -0.489431D-01  0.420797D+00  0.197654D+01
      3  -0.270644D+00 -0.288814D+01  0.420797D+00 -0.951252D+00  0.352283D+00
                41            42            43            44            45 
      1   0.197654D+01  0.352283D+00 -0.554126D+01  0.132727D+01 -0.391578D+00
      2  -0.222997D+01 -0.910982D+00  0.132727D+01 -0.161178D+01 -0.588327D+00
      3  -0.910982D+00 -0.153325D-01 -0.391578D+00 -0.588327D+00 -0.162354D+01
                46            47            48            49            50 
      1   0.359222D+01 -0.763040D+00  0.101047D+01  0.856231D-01 -0.170222D+01
      2  -0.763040D+00  0.228865D+00 -0.247990D+00 -0.170222D+01  0.466823D+01
      3   0.101047D+01 -0.247990D+00  0.382021D+01 -0.638367D+00  0.886016D-01
                51            52            53            54            55 
      1  -0.638367D+00  0.157951D+01 -0.633573D+00  0.369912D+01 -0.147805D+02
      2   0.886016D-01 -0.633573D+00 -0.171349D+00  0.349850D+00 -0.930295D+00
      3   0.428004D+00  0.369912D+01  0.349850D+00 -0.182100D+01  0.178785D+01
                56            57            58            59            60 
      1  -0.930295D+00  0.178785D+01 -0.113987D+01 -0.221425D+01  0.275064D+00
      2  -0.335555D+01  0.229424D+00 -0.221425D+01 -0.129197D+00  0.471170D+00
      3   0.229424D+00 -0.251552D+01  0.275064D+00  0.471170D+00  0.123167D+00
                61            62            63            64            65 
      1   0.256797D+01  0.442213D+00 -0.353691D+01  0.174254D+01  0.324048D+00
      2   0.442213D+00  0.102003D+01 -0.222760D+00  0.324048D+00 -0.296633D+00
      3  -0.353691D+01 -0.222760D+00  0.217960D+01 -0.107180D+01 -0.493054D-01
                66            67            68            69            70 
      1  -0.107180D+01  0.143210D+00 -0.365899D+00 -0.573530D-01 -0.175175D+01
      2  -0.493054D-01 -0.365899D+00  0.350868D-01 -0.117917D+01 -0.902364D-02
      3   0.147673D+01 -0.573530D-01 -0.117917D+01 -0.489649D-01  0.117182D+01
                71            72            73            74            75 
      1  -0.902364D-02  0.117182D+01  0.231166D+01  0.205950D+01 -0.531104D+00
      2  -0.161434D+01  0.505669D+00  0.205950D+01  0.256907D+01 -0.157704D+00
      3   0.505669D+00 -0.851632D+01 -0.531104D+00 -0.157704D+00  0.409063D+00
                76            77            78            79            80 
      1   0.311178D+01  0.322555D+01 -0.140981D-01 -0.117034D+01 -0.379866D+00
      2   0.322555D+01  0.735030D+01 -0.480539D+00 -0.379866D+00 -0.135344D+01
      3  -0.140981D-01 -0.480539D+00  0.923069D+00  0.587866D+00  0.118733D+01
                81            82            83            84            85 
      1   0.587866D+00 -0.643628D+00  0.140905D+00  0.950434D+00 -0.234462D+00
      2   0.118733D+01  0.140905D+00  0.212824D+00 -0.222801D+00  0.442979D+00
      3   0.225885D+00  0.950434D+00 -0.222801D+00 -0.113088D+01 -0.552137D-01
                86            87            88            89            90 
      1   0.442979D+00 -0.552137D-01  0.167780D+01 -0.233242D+00  0.401033D+00
      2   0.379746D+00  0.103374D+01 -0.233242D+00  0.117576D+01  0.689327D+00
      3   0.103374D+01 -0.204131D+00  0.401033D+00  0.689327D+00  0.863873D+01
                91            92            93            94            95 
      1   0.710247D+01  0.689755D+00 -0.201809D+00  0.993637D+00  0.122278D+01
      2   0.689755D+00  0.293596D+01  0.253554D+00  0.122278D+01 -0.906566D+00
      3  -0.201809D+00  0.253554D+00  0.661403D+00  0.150835D+00 -0.105204D+00
                96            97            98            99           100 
      1   0.150835D+00 -0.826734D+00  0.177709D+00  0.458838D+00 -0.206217D+01
      2  -0.105204D+00  0.177709D+00 -0.357517D+00 -0.614811D+00  0.802381D+00
      3  -0.519797D+00  0.458838D+00 -0.614811D+00 -0.441767D+00  0.148928D+01
               101           102           103           104           105 
      1   0.802381D+00  0.148928D+01  0.438932D+00 -0.115361D+00 -0.150079D+00
      2  -0.789313D+00 -0.467324D+00 -0.115361D+00  0.398489D+00  0.322343D+00
      3  -0.467324D+00 -0.205749D+01 -0.150079D+00  0.322343D+00 -0.151426D+00
               106           107           108           109           110 
      1   0.245926D+01 -0.607710D+00 -0.234901D+01 -0.458216D+01  0.190346D+01
      2  -0.607710D+00  0.167968D+01  0.842772D+00  0.190346D+01 -0.113665D+01
      3  -0.234901D+01  0.842772D+00  0.461821D+01 -0.223197D+01  0.863981D+00
               111           112           113           114           115 
      1  -0.223197D+01  0.167743D+01 -0.676742D+00  0.685831D+00 -0.351515D+01
      2   0.863981D+00 -0.676742D+00  0.134091D+01 -0.461299D+00  0.117992D+01
      3  -0.215732D+01  0.685831D+00 -0.461299D+00  0.745898D+00 -0.263186D+01
               116           117           118           119           120 
      1   0.117992D+01 -0.263186D+01  0.874814D+01 -0.193587D+01  0.208925D+01
      2  -0.134706D+01  0.106894D+01 -0.193587D+01  0.157403D+01 -0.389308D+00
      3   0.106894D+01 -0.289216D+01  0.208925D+01 -0.389308D+00  0.176857D+01
               121           122           123           124           125 
      1  -0.147683D+01  0.117544D+01 -0.386251D+00  0.434845D+01 -0.934290D+00
      2   0.117544D+01 -0.110628D+01  0.396429D+00 -0.934290D+00  0.101593D+01
      3  -0.386251D+00  0.396429D+00 -0.313983D+00  0.221060D+01 -0.526256D+00
               126 
      1   0.221060D+01
      2  -0.526256D+00
      3   0.136516D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.243183D+01 -0.315799D+01 -0.309319D+01 -0.385975D+01 -0.293667D+01
      2   0.470281D+01  0.450372D+00  0.266955D+01 -0.946334D+00  0.353307D+01
      3   0.311769D+01  0.578089D+01  0.106584D+01  0.810659D+01 -0.376057D+01
                 6             7             8             9            10 
      1  -0.171223D+00 -0.172063D+01  0.299391D+01  0.780952D+01  0.245763D+01
      2   0.125129D+01 -0.236207D+01 -0.770919D+00 -0.756724D+01 -0.155527D+01
      3  -0.730572D+00  0.270011D+01 -0.253464D+01  0.180906D+01 -0.120314D+01
                11            12            13            14            15 
      1  -0.148539D+01 -0.654765D-01 -0.213820D+01 -0.252640D+01 -0.275935D+01
      2  -0.262415D+00  0.150052D+01  0.380776D-02  0.501988D+00  0.166429D+01
      3  -0.462871D+01 -0.856540D+00  0.901734D+00  0.202586D+01  0.915419D+00
                16            17            18            19            20 
      1   0.159157D+01  0.466700D+01 -0.284369D+01 -0.206891D+01  0.793526D+01
      2  -0.463481D+01 -0.597316D+00  0.376872D-01 -0.260653D+01 -0.168414D+01
      3  -0.162480D+01  0.745236D+00 -0.146831D+01 -0.543156D+01  0.260477D+01
                21            22            23            24            25 
      1   0.170716D+00  0.320401D+01  0.472634D+01  0.578535D+01  0.308863D+01
      2  -0.954589D+01 -0.173248D+01 -0.760185D+00  0.311747D+00 -0.120622D+02
      3   0.133545D+01  0.279877D+01  0.805599D+00 -0.198698D+01  0.232771D+01
                26            27            28            29            30 
      1   0.168856D+02 -0.132832D+01  0.135631D+01 -0.178265D+01 -0.214589D+00
      2  -0.402169D+01  0.508986D+01 -0.208984D+01 -0.217361D+00  0.359602D+01
      3  -0.573176D+01 -0.662167D+00  0.165331D+02  0.252424D+01 -0.826546D+00
                31            32            33            34            35 
      1   0.274016D+00  0.107635D+01 -0.780141D+01 -0.765620D+00 -0.392089D+01
      2  -0.511539D+00  0.900444D-01 -0.187796D+01 -0.208390D+01  0.256707D+01
      3   0.121685D+02 -0.166759D+01 -0.102883D+00 -0.306361D+01  0.913185D+00
                36            37            38            39            40 
      1   0.293079D+00 -0.283003D+01  0.633738D+00  0.107998D+01  0.152323D+01
      2  -0.407249D+00 -0.898352D+01  0.282125D+01  0.117267D+01  0.250660D+01
      3  -0.148680D+01  0.610981D+01 -0.779732D+01  0.881916D-01  0.395759D+00
                41            42            43            44            45 
      1  -0.116867D+01 -0.430849D+01 -0.142624D+01  0.332083D+01 -0.217952D+01
      2  -0.279665D+01 -0.119416D+01 -0.619843D+01  0.344857D-01 -0.588651D+01
      3   0.774920D+01  0.194753D+01 -0.153979D+00  0.525774D+01  0.165172D+01
                46            47            48            49            50 
      1  -0.249468D+01  0.132880D+01 -0.861902D+01  0.258649D+01 -0.172270D+01
      2  -0.146412D+01  0.157493D+01 -0.388654D+00  0.838171D+00 -0.104233D+01
      3   0.960348D+01 -0.519922D+01  0.154967D+01  0.508158D+01 -0.510123D-01
                51            52            53            54            55 
      1  -0.581613D+01 -0.103573D+02  0.276138D+01  0.321302D+01  0.264340D+01
      2  -0.866238D+00 -0.693231D+01  0.285562D+01  0.974898D+00 -0.977620D+00
      3  -0.149021D+01  0.255147D+01 -0.236274D+01  0.985623D+01  0.968614D+01
                56            57            58            59            60 
      1  -0.346502D+01 -0.210329D+01 -0.730740D+00 -0.180510D+00 -0.391324D+01
      2  -0.168927D+00  0.128407D+02  0.100421D+01 -0.494999D+00  0.156407D+01
      3  -0.139142D+02 -0.111444D+01  0.666575D+00  0.106713D+01  0.845082D+00
                61            62            63            64            65 
      1  -0.410208D+01 -0.498540D+00  0.216553D+01  0.544915D+00  0.338442D-02
      2   0.165901D+01  0.180036D+01 -0.429474D+01  0.133045D+01  0.330175D+00
      3  -0.100718D+01  0.437735D+01  0.293906D+01  0.134870D+01 -0.536814D+00
                66            67            68            69            70 
      1  -0.760060D+00  0.486275D+00  0.732456D+00 -0.877084D-01 -0.126107D+01
      2   0.659687D+00 -0.328951D+00 -0.186265D+00 -0.116472D+00 -0.266595D+01
      3  -0.605435D+00  0.142447D+01 -0.395950D+00 -0.275932D+00 -0.923432D+00
                71            72            73            74            75 
      1   0.224480D+01  0.511706D+01  0.156662D+01  0.132041D+01 -0.111012D+01
      2   0.448990D+00 -0.997186D-01 -0.104291D+01 -0.101653D+01  0.176568D+01
      3   0.618300D+00  0.389513D+00  0.224214D+00 -0.265550D+01 -0.416273D+00
                76            77            78            79            80 
      1   0.100216D+01  0.311348D+01 -0.350438D+01 -0.510641D+00 -0.112917D+01
      2  -0.575975D+00 -0.141539D+01  0.211033D+01  0.546681D-01  0.146408D+01
      3   0.304564D+01 -0.737184D+01  0.806984D+00 -0.173166D+01  0.161333D+01
                81            82            83            84            85 
      1   0.272269D+00 -0.840654D+00 -0.676418D-01  0.812442D+00  0.249349D+00
      2  -0.219972D+00  0.210379D+01 -0.511167D+00 -0.948253D+00  0.199361D+00
      3  -0.830787D+00 -0.140652D+01 -0.796656D+00  0.928390D+00  0.304782D+00
                86            87            88            89            90 
      1  -0.784981D+00  0.300731D+00 -0.373648D+00  0.305148D+01 -0.816081D+01
      2   0.111316D+01 -0.202642D+00 -0.397893D+01  0.141406D+01  0.109951D+02
      3   0.365928D+00 -0.117209D+01  0.180047D+01 -0.164470D+01 -0.100723D+01
                91            92            93            94            95 
      1  -0.123576D+01 -0.204754D+00  0.235819D+01  0.160146D-01 -0.605298D-01
      2   0.317584D+01  0.956535D+00 -0.972835D+00  0.851553D+00  0.255326D+00
      3  -0.228182D+02 -0.295997D+01  0.382495D+00 -0.368591D+01 -0.731953D+00
                96            97            98            99           100 
      1   0.191220D+00  0.166297D+01  0.783941D+00 -0.442284D+00 -0.349996D+01
      2  -0.110110D+01 -0.240900D+01 -0.367185D+00 -0.328018D+00 -0.810806D+00
      3  -0.278234D+00  0.182501D+01 -0.383858D+00 -0.558108D+00 -0.409605D+01
               101           102           103           104           105 
      1   0.233843D+00  0.521747D+01  0.175402D+00 -0.146174D+01  0.311471D-01
      2   0.822753D+00  0.299793D+01  0.687997D+00  0.229576D+00  0.545180D-01
      3  -0.719850D+00  0.317312D+01  0.477894D+00 -0.778513D+00  0.251830D-01
               106           107           108           109           110 
      1   0.610692D+01  0.271925D+00 -0.102818D+02  0.471185D+01 -0.116561D+01
      2   0.721182D+00 -0.123462D+01 -0.464319D+01  0.937039D+00 -0.104136D+01
      3   0.551507D+01  0.791119D+00 -0.522076D+01 -0.909017D+01  0.101557D+01
               111           112           113           114           115 
      1   0.512639D+01 -0.182377D+01  0.736797D+00 -0.153197D+01  0.561336D+01
      2   0.300714D+01 -0.628076D+00  0.685768D-01 -0.697400D+00  0.928993D+00
      3  -0.441113D+01  0.341916D+01 -0.551764D+00  0.150106D+01 -0.726511D+01
               116           117           118           119           120 
      1  -0.536041D+00  0.583889D+01  0.212111D+01 -0.126377D+00  0.120056D+01
      2  -0.989394D+00  0.268274D+01  0.678344D+01 -0.175139D+01  0.592215D+01
      3   0.855049D+00 -0.532194D+01 -0.148399D+01 -0.398753D+01 -0.595105D+00
               121           122           123           124           125 
      1  -0.467226D+00  0.154033D+00 -0.690958D+00  0.136027D+01  0.374062D+00
      2  -0.136834D+01  0.904074D+00 -0.900265D+00  0.536573D+01 -0.151086D+01
      3  -0.507441D+00  0.220278D+01 -0.501672D+00 -0.950062D+00 -0.251361D+01
               126 
      1   0.829370D+00
      2   0.416366D+01
      3  -0.894842D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.183945D+01  0.118333D+01  0.937750D+00  0.119751D+02 -0.510880D+01
      2  -0.250001D+01 -0.288722D+01 -0.343373D+01 -0.150852D+02 -0.105346D+02
      3   0.433946D+01  0.170389D+01  0.249598D+01  0.311017D+01  0.156434D+02
      4   0.380417D+01 -0.110960D+02  0.447185D+01 -0.172588D+02 -0.191549D+02
      5   0.800926D+01  0.911929D+00  0.131613D+01 -0.305449D+01  0.279822D+01
      6   0.386022D+01  0.137277D+01  0.521486D+01  0.257594D+00 -0.222692D-01
                 6             7             8             9            10 
      1  -0.824652D+00  0.592583D+01  0.400448D+00  0.123378D+02 -0.409612D+01
      2   0.399955D+01 -0.280140D+01  0.199156D+01  0.643662D+01  0.616853D+01
      3  -0.317490D+01 -0.312443D+01 -0.239201D+01 -0.187744D+02 -0.207241D+01
      4   0.319389D+01  0.202802D+01  0.522627D+01 -0.350763D-01  0.334713D+00
      5   0.357137D+01  0.262716D+01  0.247476D+00 -0.130308D+02 -0.288453D+01
      6  -0.147475D+01  0.244239D+01  0.888643D+00 -0.896140D+01 -0.305801D+01
                11            12            13            14            15 
      1  -0.373483D+01 -0.336185D+01  0.678790D+00  0.201084D+01  0.677558D+00
      2   0.805834D+01  0.660519D+00  0.270282D+01 -0.180358D+01  0.532933D+00
      3  -0.432351D+01  0.270133D+01 -0.338161D+01 -0.207267D+00 -0.121049D+01
      4   0.138715D+00 -0.281271D+01 -0.904240D+00  0.403333D+01 -0.216142D+00
      5  -0.935635D+00 -0.163896D+01  0.487453D+00  0.734705D+00  0.270228D+01
      6  -0.453308D+00 -0.859794D+00  0.421997D+00  0.147194D+01 -0.359457D+00
                16            17            18            19            20 
      1  -0.541990D+01 -0.404199D+00  0.908258D+01 -0.334572D+02 -0.971371D+01
      2  -0.582547D+00 -0.286656D+01  0.802868D+01  0.187714D+02  0.894329D+01
      3   0.600245D+01  0.327076D+01 -0.171113D+02  0.146857D+02  0.770420D+00
      4  -0.304383D+01 -0.133676D+01 -0.363599D+01 -0.118306D+02 -0.149803D+02
      5  -0.141720D+00 -0.168807D+01  0.533180D+01  0.631709D+01  0.580060D+00
      6  -0.427738D+01  0.402222D+00  0.814494D+01  0.291023D+01  0.251447D+01
                21            22            23            24            25 
      1   0.444149D+00 -0.204986D+01  0.105399D+02  0.648879D+00  0.891625D+01
      2  -0.481115D+01  0.344038D+01 -0.149137D+02 -0.175034D+01 -0.600962D+01
      3   0.436700D+01 -0.139052D+01  0.437389D+01  0.110146D+01 -0.290663D+01
      4   0.271050D+01 -0.184147D+01  0.859619D+01 -0.145962D+01  0.496018D+01
      5  -0.142265D+02 -0.800714D+00 -0.183053D+01  0.211494D+01  0.152164D+01
      6   0.190512D+01 -0.160889D+01 -0.393825D+01 -0.708248D+01 -0.164385D+01
                26            27            28            29            30 
      1  -0.280963D+00 -0.746967D+01 -0.227134D+01 -0.120595D+01 -0.100939D+01
      2  -0.122918D+01 -0.329852D+01  0.720942D+01  0.110562D+00  0.108255D+01
      3   0.151014D+01  0.107682D+02 -0.493808D+01  0.109539D+01 -0.731627D-01
      4   0.556539D+01 -0.864130D+00  0.582410D+01  0.162574D+02 -0.845066D+00
      5  -0.123590D+01  0.718698D+01 -0.660136D+00  0.775511D-02  0.640983D+01
      6   0.176585D+01  0.157908D+01 -0.188738D+01 -0.417644D+00 -0.136367D+01
                31            32            33            34            35 
      1  -0.218824D+00 -0.280207D+02 -0.209147D+01  0.814485D-01  0.179489D+00
      2  -0.282125D+01  0.404471D+02  0.166224D+01  0.847922D+00  0.325658D+00
      3   0.304007D+01 -0.124264D+02  0.429224D+00 -0.929371D+00 -0.505146D+00
      4   0.108204D+02 -0.127802D+01  0.127959D+01 -0.166602D+01 -0.805451D+00
      5   0.663410D+00  0.168482D+01 -0.205115D+01  0.352839D+01  0.147506D+01
      6   0.101960D+01  0.478715D+01  0.144451D+02 -0.213507D+01  0.131838D+02
                36            37            38            39            40 
      1  -0.872041D+01 -0.593500D+01  0.594979D+00 -0.136020D+02 -0.766977D+01
      2   0.509314D+01  0.258995D+01 -0.245077D+01  0.927074D+01  0.553914D+01
      3   0.362728D+01  0.334505D+01  0.185579D+01  0.433131D+01  0.213063D+01
      4   0.545722D+00  0.761036D+00  0.632844D+01  0.293596D+01  0.947614D+01
      5   0.222213D+00 -0.184903D+02  0.339010D+01  0.279267D+01  0.373143D+01
      6   0.150962D+01  0.258455D+01 -0.123156D+01 -0.120703D+01 -0.121735D+01
                41            42            43            44            45 
      1  -0.907695D-01  0.115652D+01 -0.267372D+02  0.489006D+01 -0.567108D+01
      2   0.725174D+01 -0.166841D+01  0.162489D+02 -0.128497D+01 -0.165659D+01
      3  -0.716097D+01  0.511890D+00  0.104884D+02 -0.360509D+01  0.732766D+01
      4  -0.685322D+01 -0.386574D+01  0.681610D+01 -0.567762D+01 -0.102905D+01
      5  -0.472091D+01 -0.282960D+01  0.125603D+01 -0.270260D+01 -0.113817D+02
      6   0.821108D+00  0.582914D+01  0.102130D+01  0.370191D+01  0.274566D+01
                46            47            48            49            50 
      1  -0.251881D+01  0.473003D+01 -0.954533D+00  0.141740D+01 -0.136530D+02
      2   0.328466D+01 -0.671323D+01 -0.158666D+01 -0.509867D+01  0.272398D+02
      3  -0.765849D+00  0.198319D+01  0.254120D+01  0.368127D+01 -0.135869D+02
      4   0.145401D+02  0.922411D+00  0.354230D+01  0.898368D+01 -0.148052D+02
      5  -0.415782D+01  0.234616D+01 -0.764096D+01  0.115451D+01 -0.972855D+00
      6   0.471309D+01 -0.200940D+01  0.144893D+02 -0.311012D+01  0.863913D-02
                51            52            53            54            55 
      1   0.103883D+01  0.208222D+00  0.940854D+00 -0.107374D+02  0.675420D+02
      2   0.746688D+00 -0.256817D+01  0.885402D+00  0.795696D+01 -0.402964D+02
      3  -0.178552D+01  0.235995D+01 -0.182626D+01  0.278043D+01 -0.272456D+02
      4  -0.251148D+01  0.447625D+01 -0.193671D+01  0.133431D+02  0.225005D+02
      5  -0.226972D+01 -0.787541D+01  0.347864D+01  0.228308D+01 -0.899819D+01
      6   0.702748D+01  0.157772D+02  0.565514D+01 -0.477857D+01 -0.250852D+01
                56            57            58            59            60 
      1   0.381788D+01 -0.400942D+01  0.252431D+01  0.327620D+01  0.556658D+00
      2   0.139311D+01  0.600308D+01  0.818111D+00  0.271979D+01 -0.149107D+00
      3  -0.521098D+01 -0.199366D+01 -0.334242D+01 -0.599599D+01 -0.407551D+00
      4   0.204809D+02 -0.221798D+01  0.161793D+02  0.591558D+01 -0.206118D+01
      5  -0.762107D+00  0.214775D+02 -0.157024D+00 -0.169667D+01  0.165775D+01
      6  -0.906251D+00  0.346610D+01 -0.143838D+01 -0.936388D+00  0.573857D+01
                61            62            63            64            65 
      1  -0.686288D+01  0.598407D+00  0.801961D+01 -0.282698D+00  0.304099D+00
      2   0.695901D+01 -0.197014D+00 -0.105944D+02 -0.405501D+01 -0.331204D+00
      3  -0.961292D-01 -0.401393D+00  0.257479D+01  0.433771D+01  0.271056D-01
      4  -0.274533D+01 -0.423143D+01  0.552168D+01  0.125420D+01  0.210935D+01
      5   0.197236D+02  0.220514D+01 -0.104874D+02 -0.171196D+01  0.178940D+00
      6   0.662641D+01  0.591464D+01 -0.378884D+01 -0.113881D+01 -0.102927D+01
                66            67            68            69            70 
      1   0.161670D+01  0.290148D-01 -0.316669D+01  0.673662D+00  0.167292D+01
      2   0.183340D+01  0.493936D+00  0.649622D+00 -0.242071D+01  0.316625D+01
      3  -0.345010D+01 -0.522950D+00  0.251707D+01  0.174705D+01 -0.483917D+01
      4  -0.948838D+00  0.224778D+01  0.615808D+00 -0.364182D+00 -0.134782D+01
      5   0.719026D+01  0.168892D+00 -0.120007D+01 -0.257538D+00  0.452481D+01
      6   0.154253D+01 -0.106453D+01 -0.165009D+01  0.577055D+01  0.205937D+01
                71            72            73            74            75 
      1   0.269572D+01 -0.179232D+02  0.740694D+01  0.403619D+01 -0.139195D+01
      2  -0.122909D+01 -0.150552D+02  0.135155D+01  0.378913D+01  0.131399D-02
      3  -0.146664D+01  0.329784D+02 -0.875850D+01 -0.782532D+01  0.139064D+01
      4   0.846424D+00  0.135899D+01  0.134011D+02  0.159718D+02 -0.149860D+01
      5   0.607097D+00 -0.503748D+01 -0.800078D+00  0.256474D-02  0.257801D+01
      6   0.525613D+01 -0.107121D+02 -0.616575D+00  0.200764D+00  0.156979D+01
                76            77            78            79            80 
      1   0.350736D+01 -0.622557D+01  0.379425D+00 -0.263257D+01  0.358409D+00
      2   0.647741D+01  0.242879D+02 -0.231099D+01  0.387784D+00 -0.307598D+01
      3  -0.998477D+01 -0.180624D+02  0.193156D+01  0.224479D+01  0.271758D+01
      4   0.192445D+02  0.320370D+02 -0.195145D+01 -0.327122D+01 -0.503926D+01
      5   0.725822D+00 -0.558525D+00  0.344826D+01  0.335644D+01  0.449993D+01
      6   0.974017D+00  0.839381D+00  0.460866D+01  0.260283D+01  0.546582D+01
                81            82            83            84            85 
      1  -0.227399D+01 -0.176860D+01  0.752170D+00  0.492049D+01 -0.179097D+01
      2   0.135978D+01 -0.124623D+01  0.630563D+00 -0.104307D+01  0.208279D+01
      3   0.914212D+00  0.301483D+01 -0.138273D+01 -0.387742D+01 -0.291821D+00
      4   0.518884D+01 -0.245254D-01  0.269627D+01  0.714352D+00  0.279059D+01
      5  -0.422645D+00  0.113781D+01  0.782800D-01  0.353116D+01  0.935154D-02
      6  -0.755081D+00  0.952567D+00 -0.107474D+01 -0.199957D+01  0.260095D+00
                86            87            88            89            90 
      1  -0.221060D+01 -0.116246D+01  0.470664D+01 -0.330561D+01 -0.189635D+02
      2   0.486478D+00  0.189941D+01 -0.314716D+01  0.164557D+01 -0.143581D+02
      3   0.172413D+01 -0.736952D+00 -0.155948D+01  0.166003D+01  0.333216D+02
      4   0.196160D+01  0.223383D+01  0.147877D+01  0.244993D+01  0.262971D+01
      5   0.202611D+01 -0.989603D+00  0.563791D+01  0.161494D+01  0.190979D+02
      6   0.145587D+01  0.536390D+01  0.345259D+00  0.529095D+01  0.117205D+02
                91            92            93            94            95 
      1   0.408925D+01  0.102219D+02  0.168360D+01  0.226353D+01  0.525251D+00
      2  -0.381831D+01 -0.125106D+02 -0.970873D+00 -0.411298D+01  0.118395D+01
      3  -0.270947D+00  0.228872D+01 -0.712723D+00  0.184946D+01 -0.170920D+01
      4  -0.126997D+02 -0.793405D+00  0.140503D+01  0.875654D+00 -0.540558D+01
      5   0.651662D+00  0.600857D+00 -0.158038D+01  0.719429D+00 -0.490646D-01
      6   0.229170D+01 -0.112222D+01 -0.371453D+01 -0.329924D+00  0.360234D+00
                96            97            98            99           100 
      1   0.302176D+00 -0.375818D-01 -0.691395D+00 -0.139622D+01  0.578871D+01
      2   0.499522D-01  0.779361D-02  0.713172D+00 -0.333573D-01 -0.280129D+01
      3  -0.352128D+00  0.297882D-01 -0.217765D-01  0.142958D+01 -0.298742D+01
      4  -0.408582D+00  0.183500D+01 -0.183278D+00 -0.152398D+01 -0.944511D+01
      5  -0.206150D+01  0.132545D+01 -0.583598D+00 -0.934605D+00 -0.565123D+01
      6   0.594279D+00 -0.190761D+01  0.254261D+01  0.108902D+01  0.542698D+01
               101           102           103           104           105 
      1  -0.139587D+01 -0.271634D+01 -0.141279D+01 -0.162975D+01  0.996504D-02
      2  -0.328091D+00  0.216586D+01  0.901068D+00  0.259075D+01  0.143543D+01
      3   0.172396D+01  0.550477D+00  0.511726D+00 -0.961000D+00 -0.144539D+01
      4   0.618244D+01  0.559704D+01  0.236655D+01 -0.400948D-01 -0.168044D+01
      5   0.176297D+01  0.829540D+01  0.337024D+00 -0.119332D+01 -0.196796D+00
      6  -0.201563D+01 -0.846325D+01 -0.127201D+01  0.820259D+00  0.164604D+01
               106           107           108           109           110 
      1  -0.321016D+01 -0.248383D+01  0.223054D+00  0.110366D+02 -0.291949D+01
      2   0.355367D+01  0.361836D+01 -0.556813D+01 -0.341066D+01 -0.101533D+01
      3  -0.343505D+00 -0.113453D+01  0.534508D+01 -0.762590D+01  0.393481D+01
      4   0.800344D+01 -0.454656D+01 -0.828282D+01 -0.197626D+02  0.112333D+02
      5   0.824738D+01 -0.271316D+01 -0.129251D+02  0.109636D+02 -0.436315D+01
      6  -0.905944D+01  0.424756D+01  0.165358D+02 -0.100764D+02  0.485549D+01
               111           112           113           114           115 
      1   0.427648D+01 -0.154428D+01 -0.262352D+01 -0.301382D+00  0.317147D+01
      2  -0.179957D+01 -0.124042D+01  0.525953D+01 -0.168966D+01 -0.212727D+01
      3  -0.247691D+01  0.278470D+01 -0.263600D+01  0.199104D+01 -0.104420D+01
      4  -0.936611D+01  0.784863D+01 -0.355691D+01  0.418515D+01 -0.120479D+02
      5   0.987593D+01 -0.186517D+01  0.227490D+01 -0.129945D+01  0.107322D+02
      6  -0.917162D+01  0.441811D+01 -0.249144D+01  0.453326D+01 -0.113667D+02
               116           117           118           119           120 
      1   0.121440D+01  0.133165D+01  0.485645D+02 -0.958752D+01  0.118389D+02
      2  -0.250460D+01 -0.336787D+01 -0.273770D+02  0.476984D+01 -0.670866D+01
      3   0.129020D+01  0.203623D+01 -0.211875D+02  0.481768D+01 -0.513020D+01
      4   0.577811D+01 -0.102755D+02 -0.108451D+02  0.709093D+01 -0.308235D+01
      5  -0.427909D+01  0.102475D+02  0.152792D+02 -0.319336D+01  0.101728D+02
      6   0.640077D+01 -0.118284D+02 -0.345361D+01  0.131653D+01 -0.140820D+01
               121           122           123           124           125 
      1  -0.625056D+01  0.468236D+01 -0.146729D+01  0.208813D+02 -0.451538D+01
      2   0.298607D+01 -0.147524D+01  0.470171D+00 -0.132714D+02  0.280409D+01
      3   0.326449D+01 -0.320711D+01  0.997122D+00 -0.760992D+01  0.171129D+01
      4   0.836534D+01 -0.425315D+01  0.263073D+01 -0.547562D+01  0.389094D+01
      5  -0.211993D+01  0.270319D+01 -0.153924D+01  0.147302D+02 -0.311350D+01
      6   0.169415D+01 -0.920763D+00  0.191251D+01 -0.267235D+01  0.182611D+01
               126 
      1   0.979216D+01
      2  -0.731156D+01
      3  -0.248059D+01
      4  -0.294155D+01
      5   0.885459D+01
      6  -0.189487D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.154871D+01      0.393643D+01      0.131305D+02
   y          0.643250D+00      0.163498D+01      0.545370D+01
   z          0.130228D+00      0.331007D+00      0.110412D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.632193D+02      0.936814D+01      0.104235D+02
   yx        -0.258434D+01     -0.382959D+00     -0.426099D+00
   yy         0.562968D+02      0.834233D+01      0.928209D+01
   zx        -0.722744D+00     -0.107100D+00     -0.119164D+00
   zy         0.651251D+00      0.965054D-01      0.107377D+00
   zz         0.440969D+02      0.653448D+01      0.727059D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.600964D+02      0.890536D+01      0.990855D+01
   aniso      0.187466D+02      0.277796D+01      0.309090D+01
   xx         0.691941D+02      0.102535D+02      0.114086D+02
   yx        -0.218763D+01     -0.324174D+00     -0.360692D+00
   yy         0.625422D+02      0.926780D+01      0.103118D+02
   zx        -0.995624D+00     -0.147536D+00     -0.164156D+00
   zy         0.605376D+00      0.897075D-01      0.998131D-01
   zz         0.485528D+02      0.719479D+01      0.800528D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.54354721          0.10789743          2.81323632
     6          0.20027468          1.35873309          0.31343411
     6          0.08798134         -0.48685048         -1.94270076
     8          1.23434714         -2.72438941         -1.60337706
     8          1.27950892         -1.82280845          3.38001315
     7         -1.32574102          3.60760059         -0.04667247
     8         -0.92916588          0.03841745         -3.90150443
     1          2.17943380          1.92969780          0.51026694
     1         -0.54471018          1.55745160          4.27791968
     1         -2.44299371         -0.70225701          2.67219370
     1          1.73880016         -2.88813589          0.16930590
     1         -2.99679917          3.12300562         -0.85395043
     1         -0.47934174          4.76969363         -1.30899538
     1          0.68001989         -2.85109160          4.75510032

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168203D+01      0.427530D+01      0.142609D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.473045D+02      0.700980D+01      0.779945D+01
   yx        -0.612553D+01     -0.907710D+00     -0.100996D+01
   yy         0.561007D+02      0.831326D+01      0.924975D+01
   zx         0.315031D+01      0.466828D+00      0.519416D+00
   zy        -0.323421D+01     -0.479260D+00     -0.533249D+00
   zz         0.602079D+02      0.892189D+01      0.992694D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.600964D+02      0.890536D+01      0.990855D+01
   aniso      0.187466D+02      0.277796D+01      0.309090D+01
   xx         0.520448D+02      0.771224D+01      0.858103D+01
   yx        -0.665039D+01     -0.985486D+00     -0.109650D+01
   yy         0.617935D+02      0.915685D+01      0.101884D+02
   zx         0.338187D+01      0.501141D+00      0.557594D+00
   zy        -0.272706D+01     -0.404108D+00     -0.449631D+00
   zz         0.664508D+02      0.984700D+01      0.109563D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-38\Freq\RB3LYP\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,1.29073,0.712663,0.358259\C,-0.059673,0.650207,-0.359706\
 C,-0.852428,-0.63102,-0.023937\O,-0.170827,-1.783936,-0.115771\O,2.106
 421,-0.370921,-0.116056\N,-0.796184,1.869755,-0.086038\O,-2.012397,-0.
 611288,0.285099\H,0.160738,0.608893,-1.4315\H,1.753555,1.672222,0.1254
 88\H,1.147859,0.642089,1.441905\H,0.778104,-1.587327,-0.255792\H,-1.29
 4207,1.773751,0.79315\H,-1.516728,1.999402,-0.785323\H,2.886618,-0.459
 251,0.440467\\Version=ES64L-G16RevA.03\State=1-A\HF=-399.1506876\RMSD=
 8.545e-09\RMSF=9.239e-06\ZeroPoint=0.112992\Thermal=0.1208934\Dipole=1
 .5487097,0.6432498,0.1302283\DipoleDeriv=0.490109,-0.221624,-0.1151438
 ,-0.2540244,0.5223843,0.0690672,-0.0920001,0.0979429,0.3471592,0.18463
 46,-0.2639407,0.0316686,-0.1822011,0.2825998,0.0019904,0.0147883,0.099
 0272,0.1533554,1.5498184,-0.2482888,-0.2928444,-0.2645363,1.2619486,0.
 0003002,-0.391718,-0.052763,0.2906387,-0.8663089,0.2478649,0.0521703,0
 .4926599,-1.0781043,-0.0932044,0.085268,-0.0234645,-0.3530341,-0.82869
 15,0.2083834,0.1264331,0.1563714,-0.7317632,-0.0298692,0.1267354,-0.06
 17126,-0.3855345,-0.3971529,0.0101826,-0.004821,0.0986538,-0.7133258,0
 .0046622,-0.0149603,-0.0378583,-0.2328641,-1.1880415,0.0471454,0.16231
 58,-0.1003473,-0.6072306,0.0261411,0.2447191,0.0094873,-0.3923246,0.02
 83298,0.0103021,0.0189165,-0.0044043,0.0082698,-0.0111593,0.0253804,-0
 .0313339,-0.0691162,-0.0263655,-0.0642563,0.013247,-0.044797,-0.109261
 4,0.0002063,0.0285166,0.0240521,0.0401554,0.0012302,0.0314192,0.040671
 2,0.0408335,0.0151075,0.027003,0.0199139,-0.0281469,-0.151366,0.567432
 2,0.0835286,0.029399,0.1156423,0.3721316,0.0340157,0.0122664,0.0441858
 ,0.2749555,0.1364405,0.084211,0.0576417,-0.0049619,0.2440812,0.1045974
 ,0.0339412,0.0520788,0.1065246,0.0718221,0.0747759,-0.0629303,-0.02708
 37,0.2615375,-0.0841752,-0.0274678,-0.0527509,0.1254526,0.2767435,0.00
 02966,-0.0567236,-0.0218049,0.271625,-0.0495752,-0.0653831,-0.038744,0
 .2459981\Polar=63.2193341,-2.5843363,56.2968222,-0.7227437,0.6512509,4
 4.0968707\Quadrupole=1.6494212,-4.1893546,2.5399334,-4.2329181,3.64159
 77,0.0697269\PG=C01 [X(C3H7N1O3)]\NImag=0\\0.46726472,0.06504781,0.539
 95913,-0.00753530,-0.03627668,0.57129983,-0.14124401,-0.02052097,-0.04
 277016,0.48630926,-0.02099159,-0.07563413,-0.00779854,-0.04535901,0.45
 783051,-0.05286827,-0.00917668,-0.10802201,-0.03004017,0.02173675,0.57
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 THOUGH I SPEAK WITH THE TONGUES OF MEN AND OF ANGELS, 
 AND HAVE NOT LOVE,
 I AM BECOME AS SOUNDING BRASS, A TINKLING CYMBAL.
 AND THOUGH I HAVE THE GIFT OF PROPHECY,
 AND UNDERSTAND ALL MYSTERIES, AND ALL KNOWLEDGE.
 AND THOUGH I HAVE ALL FAITH, SO THAT I COULD REMOVE MOUNTAINS,
 AND HAVE NOT LOVE, I AM NOTHING.
 AND THOUGH I BESTOW ALL MY GOODS TO FEED THE POOR,
 AND THOUGH I GIVE MY BODY TO BE BURNED,
 AND HAVE NOT LOVE IT PROFITETH ME NOTHING.
 LOVE SUFFERETH LONG, AND IS KIND,
 LOVE ENVIETH NOT,
 LOVE VAUNTETH NOT ITSELF, IS NOT PUFFED UP,
 DOTH NOT BEHAVE ITSELF UNSEEMLY, SEEKETH NOT HER OWN,
 IS NOT EASILY PROVOKED, THINKETH NO EVIL,
 REJOICETH NOT IN INIQUITY, BUT REJOICETH IN THE TRUTH,
 BEARETH ALL THINGS, BELIEVETH ALL THINGS,
 HOPETH ALL THINGS, ENDURETH ALL THINGS.
 LOVE NEVER FAILETH, BUT WHETHER THERE BE PROPHECIES, THEY SHALL FAIL, 
 WHETHER THERE BE TONGUES, THEY SHALL CEASE,
 WHETHER THERE BE KNOWLEDGE, IT SHALL VANISH AWAY.
 FOR WE KNOW IN PART, AND WE PROPHESY IN PART.
 BUT WHEN THAT WHICH IS PERFECT IS COME, THEN THAT WHICH IS IN PART 
 SHALL BE DONE AWAY. 
 WHEN I WAS A CHILD, I SPAKE AS A CHILD, I UNDERSTOOD AS A CHILD, 
 I THOUGHT AS A CHILD.
 BUT WHEN I BECAME A MAN, I PUT AWAY CHILDISH THINGS.
 FOR NOW WE SEE THROUGH A GLASS, DARKLY, BUT THEN FACE TO FACE.
 NOW I KNOW IN PART. BUT THEN SHALL I KNOW EVEN AS ALSO I AM KNOWN.
 AND NOW ABIDETH FAITH, HOPE AND LOVE, THESE THREE.
 BUT THE GREATEST OF THESE IS LOVE.

                     I CORINTHIANS 13
 Job cpu time:       0 days  0 hours 26 minutes 55.5 seconds.
 Elapsed time:       0 days  0 hours  3 minutes 22.9 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:28:53 2021.
